6-Bromo-7-{4-[(5-Methyl-1,2-Oxazol-3-Yl)Methyl]-1-Piperazinyl}-2-[4-(4-Methyl-1-Piperazinyl)Phenyl]-1H-Imidazo[4,5-B]Pyridine

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Properties Simple | Detailed

Formula C26H31BrN8O
IUPAC Name 3-[[4-[6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-1-ium-7-yl]piperazin-1-yl]methyl]-5-methyl-isoxazole
Molecular Mass 551.481 g·mol−1
Heat of Formation 2002.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 589.71 Å 3
Surface Area 474.96 Å 2
HOMO Energy -7.77 ± 0.55 eV
LUMO Energy -2.85 ± eV
Point Group Symmetry C1
InChIKey GFLQCBTXTRCREJ-UHFFFAOYSA-N
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Elements H C O Br N