3-(1H-Indol-5-Yl)-5-{4-[(4-Methyl-1-Piperazinyl)Methyl]Phenyl}-1H-Pyrrolo[2,3-B]Pyridine

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Properties Simple | Detailed

Formula C27H27N5
IUPAC Name 3-indol-1-ium-5-yl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine
Molecular Mass 421.537 g·mol−1
Heat of Formation 518.2 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 514.6 Å 3
Surface Area 448.8 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey QKKIWEILHCXECO-UHFFFAOYSA-N
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Elements H C N