3-Bromo-10-(Difluoromethyl)-9H-Imidazo[1,5-A][1,2,4]Triazolo[1,5-D][1,4]Benzodiazepine

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Formula C13H8BrF2N5
IUPAC Name 15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
Molecular Mass 352.137 g·mol−1
Heat of Formation 127.0 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 320.79 Å 3
Surface Area 284.43 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey AFJRYPJIKHMNGL-UHFFFAOYSA-N
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Elements H C N Br F