Formula |
C17H13F3N2O2 |
IUPAC Name |
(4e)-4-[1-allyl-7-(trifluoromethyl)-2h-indazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one |
Molecular Mass |
334.293 g·mol−1 |
Heat of Formation |
-509.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.48 ± 1.08 D |
Volume |
360.53 Å 3 |
Surface Area |
317.45 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-1.79 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MCVLNTFJWNGGHQ-RVDMUPIBSA-N |
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Elements |
H
C
N
O
F
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