5-Amino-N-[2-Methyl-5-(1,2-Oxazol-3-Ylcarbamoyl)Phenyl]-1-Phenyl-1H-Pyrazole-4-Carboxamide

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Properties Simple | Detailed

Formula C21H18N6O3
IUPAC Name 5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methyl-phenyl]-1-phenyl-pyrazol-1-ium-5-ylium-4-carboxamide
Molecular Mass 402.406 g·mol−1
Heat of Formation 151.7 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 451.73 Å 3
Surface Area 412.61 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey DMYYPSLMFSEFCK-UHFFFAOYSA-N
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