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Geometry optimization of 1-(o-nitrophenyl)-2-phenyl-1H-4,5,6,7-tetrahydro-1,3-diazepine is performed by means of molecular modeling. Results are correlated with theoretical and experimental UV spectra

molecules/molecules online/molecules annual

Conformational Analysis of Seven Membered Nitrogen Heterocycles Employing Molecular Modeling. Part II: 1-(ONitrophenyl)-2-Phenyl-1h-4,5,6,7-Tetrahydro-1,3-Diazepine