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

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Properties Simple | Detailed

Formula C17H16ClN3
IUPAC Name (2r)-2-(4-chlorophenyl)-2-[4-(3h-pyrazol-2-ium-3-ylium-4-yl)phenyl]ethanamine
Molecular Mass 297.782 g·mol−1
Heat of Formation 329.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 353.8 Å 3
Surface Area 314.8 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethyl]amine
  • gvn
InChIKey HWVGILTYGZFGLR-QGZVFWFLSA-N
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Elements H C Cl N