Backing of 2-(diethylamino)-N-(2, 6-dimethylphenyl)-acetamide with molecular, electronic and docking studies

Backing of 2-(diethylamino)-N-(2, 6-dimethylphenyl)-acetamide with molecular, electronic and docking studies

In this study, the anaesthetic compound 2-(diethylamino)-N-(2, 6-dimethylphenyl)-acetamide (DEAL) was optimized with the B3LYP-6-311+G (d, p) density functional theory method. Hyper conjugative interactions revealed the bioactivity of the molecule by natural bond orbital analysis. The current–potent...

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Bibliographic Details
Main Authors:	J. Deva Anban, Sayantan Pradhan, C. James
Format:	Article
Language:	English
Published:	SpringerOpen 2017-09-01
Series:	Beni-Suef University Journal of Basic and Applied Sciences
Subjects:	DFT NBO Electrochemical measurements Molecular docking
Online Access:	http://www.sciencedirect.com/science/article/pii/S2314853516301433

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