2-[2-Ethoxy-4-(4-Hydroxy-1-Piperidyl)Anilino]-5,11-Dimethyl-Pyrimido[4,5-B][1,4]Benzodiazepine-1,3-Diium-4A-Id-6-One

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Formula C26H31N6O3
IUPAC Name 2-[2-ethoxy-4-(4-hydroxy-1-piperidyl)anilino]-5,11-dimethyl-pyrimido[4,5-b][1,4]benzodiazepine-1,3-diium-4a-id-6-one
Molecular Mass 475.563 g·mol−1
Heat of Formation -117.5 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 561.41 Å 3
Surface Area 476.93 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey OLVDXOPWNQFAIS-UHFFFAOYSA-O
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