2-Fluoro-N-[[5-(6-Methyl-2-Pyridyl)-4-(5H-[1,2,4]Triazolo[1,5-A]Pyridin-4-Ium-5-Ylium-6-Yl)Imidazol-1-Ium-3-Id-2-Yl]Methyl]Aniline
Properties
| Property | Value |
|---|---|
| Formula | C22H20FN7+ |
| IUPAC Name | 2-fluoro-n-[[5-(6-methyl-2-pyridyl)-4-(5h-[1,2,4]triazolo[1,5-a]pyridin-4-ium-5-ylium-6-yl)imidazol-1-ium-3-id-2-yl]methyl]aniline |
| Molecular Mass | 401.440 g·mol−1 |
| Heat of Formation | 496.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.59 ± 1.08 D |
| Volume | 459.44 Å 3 |
| Surface Area | 407.21 Å 2 |
| HOMO Energy | -8.92 ± 0.55 eV |
| LUMO Energy | -1.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OCKUDKZOFYJLGR-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N F |