(2S)-2-(4-Chlorophenyl)-2-[4-(1H-Pyrazol-4-Yl)Phenyl]Ethanamine

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Properties Simple | Detailed

Formula C17H16ClN3
IUPAC Name (2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
Molecular Mass 297.782 g·mol−1
Heat of Formation 330.2 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 354.4 Å 3
Surface Area 316.17 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethyl]amine
  • gvo
InChIKey HWVGILTYGZFGLR-KRWDZBQOSA-N
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Elements H C Cl N