1-{[1-(4-Chlorophenyl)-1H-Pyrazol-4-Yl]Methyl}-4-Phenylpiperazine

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Properties Simple | Detailed

Formula C20H21ClN4
IUPAC Name 1-[[1-(4-chlorophenyl)pyrazol-1-ium-2-id-4-yl]methyl]-4-phenyl-piperazine
Molecular Mass 352.861 g·mol−1
Heat of Formation 438.4 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 420.83 Å 3
Surface Area 376.6 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[1-(4-chlorophenyl)-4-pyrazolyl]methyl]-4-phenylpiperazine
  • 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenyl-piperazine
  • 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
InChIKey MHJWMIITIMUUKU-UHFFFAOYSA-N
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Elements H C N Cl