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Emerging Trends in Chemical Engineering Original Research

Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative

  1. B. Premalatha Department of Chemistry, Annamalai University, Annamalai Nagar, Chidambaram
  2. B Premalatha PG and Research Department of Chemistry, Government Arts College, Chidambaram
  3. P. Punitha Department of Chemistry, Srinivasa Subbraya Polytechnic College, Puthur, Mayiladuthurai

Abstract

(E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that 2,3-DMBH is a promising drug candidate. Further, analysis of Non-Linear Optical(NLO) properties shows that the molecule has considerable NLO activity and it strongly support that the compound possesses electronic properties. HOMO-LUMO analysis proved that the compound possess chemical stability. Mulliken population analysis for the compound shows the presence of intermolecular hydrogen bonding. MEP diagram of the compound shows the electrophile and nucleophile activity.

Keywords

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