Formula |
C20H17ClF3N3O3 |
IUPAC Name |
methyl (4s)-5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3h-pyrazole-4-carboxylate |
Molecular Mass |
439.815 g·mol−1 |
Heat of Formation |
-898.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.35 ± 1.08 D |
Volume |
469.02 Å 3 |
Surface Area |
414.07 Å 2 |
HOMO Energy |
-9.22 ± 0.55 eV |
LUMO Energy |
-1.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NWYXCHPAIGQKNN-IBGZPJMESA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
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