7-Acetyl-5-(4-Aminophenyl)-8-Methyl-8,9-Dihydro-7H-[1,3]Dioxolo[4,5-H][2,3]Benzodiazepine-8-Carbonitrile

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Formula C20H18N4O3
IUPAC Name (8r)-7-acetyl-5-(4-aminophenyl)-8-methyl-9h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-8-carbonitrile
Molecular Mass 362.382 g·mol−1
Heat of Formation -8.3 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 418.94 Å 3
Surface Area 351.33 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey CBHCOCUJJQDHSR-HXUWFJFHSA-N
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