Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one

Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one

10.1016/j.saa.2020.118166

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Bibliographic Details
Main Authors: RAMALINGAM ARULRAJ, S. Sivakumar, S.Suresh, K. Anitha
Other Authors: DEPT OF ELECTRICAL & COMPUTER ENGG
Format: Article
Published: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2020
Subjects:
Piperidin-4-one; DFT; Hydrogen bonds; B3LYP/6-31+G(d,p); Molecular orbitals; Hirshfeld surface and fingerprint plots; Molecular docking study
Online Access:https://scholarbank.nus.edu.sg/handle/10635/165266
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Institution: National University of Singapore
Description
Summary:10.1016/j.saa.2020.118166

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