Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepine

Experimental and theoretical calculations on the molecular structure, electronic and vibrational characteristics of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine are presented. The theoretical calculations are obtained by DFT/B3LYP method with 6-311++G (d,p) as basis set. Molecular docking studies are performed and shows that the compound exhibit antidepressant property.215