| Formula |
C17H11ClF3N5O3 |
| IUPAC Name |
3-chloro-5-[1-[(4-methyl-5-oxo-1,2,4-triazole-1,4-diium-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-1-ium-3-ylium-3-yl]oxy-benzonitrile |
| Molecular Mass |
425.749 g·mol−1 |
| Heat of Formation |
-684.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.88 ± 1.08 D |
| Volume |
434.8 Å 3 |
| Surface Area |
344.36 Å 2 |
| HOMO Energy |
-9.53 ± 0.55 eV |
| LUMO Energy |
1.33 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ZIAOVIPSKUPPQW-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
F
O
N
|
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