5,11-Dihydropyrido[2,3-B][1,4]Benzodiazepin-1-Ium-4A-Id-6-One

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Formula C12H10N3O
IUPAC Name 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-1-ium-4a-id-6-one
Molecular Mass 212.227 g·mol−1
Heat of Formation 129.7 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 235.17 Å 3
Surface Area 223.82 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry Cs
InChIKey UCZKYDZXXIHOLX-UHFFFAOYSA-O
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