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

• 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
• Institution: National University of Singapore

10.1016/j.saa.2020.118166