3-Methoxy-4-{3-[4-(4-Methyl-1-Piperazinyl)-1H-Benzimidazol-2-Yl]-1H-Indazol-6-Yl}Aniline

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Properties Simple | Detailed

Formula C26H27N7O
IUPAC Name 3-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)benzimidazol-1-ium-4-ylium-2-yl]indazol-1-ium-7a-ylium-6-yl]aniline
Molecular Mass 453.539 g·mol−1
Heat of Formation 456.8 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 541.65 Å 3
Surface Area 465.62 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey XONAFDRMWJEXGF-UHFFFAOYSA-N
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