4-Methyl-3H-Pyrimido[4,5-B][1,5]Benzodiazepine-1,6,11-Triium-2,5-Dione

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Formula C12H10N4O2
IUPAC Name 4-methyl-3h-pyrimido[4,5-b][1,5]benzodiazepine-1,6,11-triium-2,5-dione
Molecular Mass 242.233 g·mol−1
Heat of Formation -126.9 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 262.98 Å 3
Surface Area 244.63 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
InChIKey PGGWHLKDVDOFTR-UHFFFAOYSA-P
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