Formula |
C17H18F3N3O4 |
IUPAC Name |
2-[[(3e)-3-hydroxyimino-2-(oxomethylene)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridin-1-ium-5-yl]oxy]acetonitrile |
Molecular Mass |
385.338 g·mol−1 |
Heat of Formation |
1070.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.24 ± 1.08 D |
Volume |
374.79 Å 3 |
Surface Area |
310.32 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RCJFYGYHESLEHK-CQSZACIVSA-N |
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Elements |
C
N
O
F
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