Formula |
C23H27F3N4O3 |
IUPAC Name |
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-ium-2-id-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide |
Molecular Mass |
464.481 g·mol−1 |
Heat of Formation |
-1043.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.90 ± 1.08 D |
Volume |
524.42 Å 3 |
Surface Area |
432.59 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZFVRYNYOPQZKDG-XBXGTLAGSA-N |
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Elements |
H
C
F
O
N
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