Methyl [11-Oxo-3-(4-Pyridinylamino)-10,11-Dihydro-5H-Dibenzo[B,E][1,4]Diazepin-8-Yl]Acetate

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Properties Simple | Detailed

Formula C21H18N4O3
IUPAC Name methyl 2-[6-oxo-9-(4-pyridylamino)benzo[b][1,4]benzodiazepine-5,11-diium-3-yl]acetate
Molecular Mass 374.393 g·mol−1
Heat of Formation -156.6 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 423.95 Å 3
Surface Area 385.46 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey UHXSMHRHMWNZNO-UHFFFAOYSA-N
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