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

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Properties Simple | Detailed

Formula C18H19ClN4
IUPAC Name 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium
Molecular Mass 326.823 g·mol−1
Heat of Formation 329.6 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 384.11 Å 3
Surface Area 341.25 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1h-pyrrolo[2,3-b]pyridine
  • 3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-1h-pyrrolo[2,3-b]pyridine
  • 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1h-pyrrolo[2,3-b]pyridine
  • biomol-nt_000049
  • bpbio1_001299
  • l-745870
  • pdsp1_001576
  • pdsp2_001560
  • tocris-1002
InChIKey OGJGQVFWEPNYSB-UHFFFAOYSA-N
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Elements H C N Cl