4-(Benzoylamino)-N-(4-Fluorophenyl)-1H-Pyrazole-3-Carboxamide

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Properties Simple | Detailed

Formula C17H13FN4O2
IUPAC Name 4-benzamido-n-(4-fluorophenyl)pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 324.309 g·mol−1
Heat of Formation -140.1 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 358.82 Å 3
Surface Area 334.71 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey ZMWYSLJBNJUCRK-UHFFFAOYSA-N
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