2-{[2-Ethoxy-4-(4-Hydroxy-1-Piperidinyl)Phenyl]Amino}-5,11-Dimethyl-5,11-Dihydro-6H-Pyrimido[4,5-B][1,4]Benzodiazepin-6-One

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Formula C26H31N6O3
IUPAC Name ethylene; 2-[[4-(4-hydroxy-1-piperidyl)-6-oxo-cyclohexa-2,4-dien-1-yl]amino]-5,11-dimethyl-8,9-dihydropyrimido[4,5-b][1,4]benzodiazepine-1,3-diium-4a,8,9-triid-6-one
Molecular Mass 475.563 g·mol−1
Heat of Formation 1262.5 ± 16.7 kJ·mol−1
Dipole Moment 15.86 ± 1.08 D
Volume 570.22 Å 3
Surface Area 477.81 Å 2
HOMO Energy -7.25 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
InChIKey QAPAJIZPZGWAND-UHFFFAOYSA-N
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