9-(3-Methoxy-4-Nitro-Phenyl)-1-(2-Morpholinoethoxy)Benzo[B][1,4]Benzodiazepine-5,11-Diium-6-One

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Formula C26H26N4O6
IUPAC Name 9-(3-methoxy-4-nitro-phenyl)-1-(2-morpholinoethoxy)benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 490.508 g·mol−1
Heat of Formation -345.6 ± 16.7 kJ·mol−1
Dipole Moment 8.63 ± 1.08 D
Volume 556.91 Å 3
Surface Area 440.87 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey ISBULSNNCRTBMU-UHFFFAOYSA-N
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