Formula |
C23H19F3N4O2 |
IUPAC Name |
n-[(1s)-2-hydroxy-1-phenyl-ethyl]-4-[4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrole-2-carboxamide |
Molecular Mass |
440.418 g·mol−1 |
Heat of Formation |
-537.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.10 ± 1.08 D |
Volume |
494.66 Å 3 |
Surface Area |
428.08 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
2.50 ± eV |
Point Group Symmetry |
C1
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InChIKey |
ZSJWFEBPAQOKJC-HXUWFJFHSA-N |
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Elements |
H
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