3-{[4-(4-Iodophenyl)-1-Piperazinyl]Methyl}-1H-Pyrrolo[2,3-B]Pyridine

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Properties Simple | Detailed

Formula C18H19IN4
IUPAC Name 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1h-pyrrolo[2,3-b]pyridin-7-ium-3a-ide
Molecular Mass 418.275 g·mol−1
Heat of Formation 435.5 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 402.62 Å 3
Surface Area 350.94 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1h-pyrrolo[2,3-b]pyridine
  • 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1h-pyrrolo[2,3-b]pyridine
  • biomol-nt_000062
  • bpbio1_001349
InChIKey OOEUHRGMLFVKQO-UHFFFAOYSA-N
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