3-(5-{[4-(Aminomethyl)-1-Piperidinyl]Methyl}-1H-Indol-2-Yl)-1H-Indazole-6-Carbonitrile

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Properties Simple | Detailed

Formula C23H24N6
IUPAC Name 3-[5-[[4-(aminomethyl)-1-piperidyl]methyl]indol-1-ium-7a-ylium-2-yl]indazol-1-ium-2-ide-6-carbonitrile
Molecular Mass 384.477 g·mol−1
Heat of Formation 560.1 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 469.13 Å 3
Surface Area 417.33 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
InChIKey WBKUBPBCFYCSRT-UHFFFAOYSA-N
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Elements H C N