5-(2-Chlorophenyl)-3-Methyl-7-Nitro-Pyrazolo[3,4-B][1,4]Benzodiazepine

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Formula C17H10ClN5O2
IUPAC Name 5-(2-chlorophenyl)-3-methyl-7-nitro-pyrazolo[3,4-b][1,4]benzodiazepine
Molecular Mass 351.747 g·mol−1
Heat of Formation 645.6 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 372.54 Å 3
Surface Area 320.09 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey LTXKPOCVVJYSIY-UHFFFAOYSA-N
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