Molecular structure elucidation -Quantum computational approach, Solvent impact analysis, topological investigation and Molecular docking of N -[2-(7-methoxynaphthalen- 1 -yl) ethyl] acetamide

Molecular structure elucidation -Quantum computational approach, Solvent impact analysis, topological investigation and Molecular docking of N -[2-(7-methoxynaphthalen- 1 -yl) ethyl] acetamide

N-[2-(7-methoxynaphthalen-1-yl) ethyl] acetamide (AGL), a potentially antidepressant chemical molecule, was examined through quantum computational investigations and assessed using theoretical DFT analysis. The different functional groups are identified using FT-IR analysis and these results are con...

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Bibliographic Details
Main Authors: G. Kanimozhi, S. Tamilselvan, A. Saral, S. Kaleeswaran, E. Geetha, A. Manikandan, S. Muthu
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Chemical Physics Impact
Subjects:
Dft
Nbo
Mep, Uv-Vis
Multiwave function
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022424000835

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http://www.sciencedirect.com/science/article/pii/S2667022424000835

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