8-Chloro-1,4-Dimethyl-6-Phenyl-4H-[1,2,4]Triazolo[4,3-A][1,3,4]Benzotriazepine

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Formula C17H14ClN5
IUPAC Name 8-chloro-1,4-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine-4,11-diium
Molecular Mass 323.780 g·mol−1
Heat of Formation 580.9 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 367.21 Å 3
Surface Area 317.8 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
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InChIKey UYIVCPRWMLOCSB-UHFFFAOYSA-N
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Elements H C N Cl