5-(2-Chlorophenyl)-7-Fluoro-8-Methoxy-3-Methyl-1,2-Dihydropyrazolo[3,4-B][1,4]Benzodiazepine

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Formula C18H14ClFN4O
IUPAC Name 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-pyrazolo[3,4-b][1,4]benzodiazepine-1,2-diium
Molecular Mass 356.781 g·mol−1
Heat of Formation 147.1 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 387.09 Å 3
Surface Area 340.67 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
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InChIKey UOVCGJXDGOGOCZ-UHFFFAOYSA-N
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Elements C F H Cl O N