6-(2-Chlorophenyl)-2-[(4-Methylpiperazin-1-Yl)Methyl]-8-Nitro-4H-Imidazo[1,2-A][1,4]Benzodiazepin-3-Ium-1-One

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Properties Simple | Detailed

Formula C23H22ClN6O3
IUPAC Name 6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-8-nitro-4h-imidazo[1,2-a][1,4]benzodiazepin-3-ium-1-one
Molecular Mass 465.912 g·mol−1
Heat of Formation 258.4 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 511.35 Å 3
Surface Area 427.34 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
InChIKey NNYXQEBFJQOTFU-RGEXLXHISA-N
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Elements H C N O Cl