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Synthesis, Spectroscopic Properties, and Quantum Mechanical Study of 5-Oxo-1-phenyl-4-(piperidin-1-ylmethyl)pyrrolidine-3-carboxylic Acid

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Abstract

The spectroscopic properties of 5-oxo-1-phenyl-4-(piperidin-1-ylmethyl)pyrrolidine-3-carboxylic acid were investigated using FT-IR, NMR, and UV techniques and quantum chemical methods at different levels of theory. The other properties such as Mulliken charges, HOMO and LUMO energies, thermodynamic parameters, molecular electrostatic potential, intermolecular interactions, dipole moment, polarizability, and first-order polarizability were also simulated.

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Notes

  1. The experimental and calculated IR frequencies and their detailed assignment, as well as potential energy distributions, are available from the authors upon request.

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ACKNOWLEDGMENTS

The authors thank the Head of Department of Chemistry (Lucknow University), for providing laboratory facilities and to the Director of the Central Drug Research Institute for performing spectral analyses.

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Authors and Affiliations

  1. Department of Chemistry, University of Lucknow, 226007, Lucknow, India

    P. Devi & A. Bishnoi

  2. Department of Chemistry, Shri Ramswaroop Memorial University, 225003, Barabanki, India

    Sh. Fatma

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Correspondence to A. Bishnoi.

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Devi, P., Bishnoi, A. & Fatma, S. Synthesis, Spectroscopic Properties, and Quantum Mechanical Study of 5-Oxo-1-phenyl-4-(piperidin-1-ylmethyl)pyrrolidine-3-carboxylic Acid. Russ J Org Chem 56, 476–484 (2020). https://doi.org/10.1134/S1070428020030173

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