1-{[1-(4-Chlorophenyl)-1H-1,2,3-Triazol-4-Yl]Methyl}-4-Phenylpiperazine

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Properties Simple | Detailed

Formula C19H20ClN5
IUPAC Name 1-[[1-(4-chlorophenyl)-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]methyl]-4-phenyl-piperazine
Molecular Mass 353.849 g·mol−1
Heat of Formation 509.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 414.55 Å 3
Surface Area 374.69 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methyl]-4-phenyl-piperazine
  • 1-[[1-(4-chlorophenyl)-4-triazolyl]methyl]-4-phenylpiperazine
  • 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenyl-piperazine
  • 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-4-phenylpiperazine
InChIKey WFCBAWWBMPFNRM-UHFFFAOYSA-N
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Elements H C N Cl