N-[1-(2-Fluorophenyl)-3-Phenyl-1H-Pyrazol-5-Yl]-4-Nitrobenzamide

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Properties Simple | Detailed

Formula C22H15FN4O3
IUPAC Name n-[2-(2-fluorophenyl)-5-phenyl-pyrazol-3-yl]-4-nitro-benzamide
Molecular Mass 402.378 g·mol−1
Heat of Formation 186.2 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 452.39 Å 3
Surface Area 402.67 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-(2-fluorophenyl)-5-phenyl-pyrazol-3-yl]-4-nitro-benzamide
InChIKey BRAZLURTFMCAHU-UHFFFAOYSA-N
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