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Experimental and Theoretical Studies of the Vibrational and Electronic Properties of (2E)-2-[3-(1H-imidazol-1-yl)-1-phenyl-propylidene]-N-phenylhydrazinecarboxamide: An Anticonvulsant Agent

In the current investigation, the molecular structure of the anticonvulsant agent (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide ((2E)-HIPC) was theoretically modelled using ab initio Hartree-Fock (HF) and density functional theory (DFT/B3LYP) calculations. The Fouri...

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Main Authors: Munusamy Govindarajan, Ali S. Abdelhameed, Abdulaziz A. Al-Saadi, Mohamed I. Attia
Format: Artigo
Language:Inglês
Published: MDPI AG 2015-10-01
Series:Applied Sciences
Subjects:
(2E)-HIPC
FT-IR
FT-Raman
DFT/B3LYP
HF
Online Access:http://www.mdpi.com/2076-3417/5/4/955
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