3-[Methyl-[5-(6-Methyl-2-Pyridyl)-4-(7H-[1,2,4]Triazolo[1,5-A]Pyridin-4-Ium-7-Id-6-Yl)Imidazol-1-Ium-4-Ylium-2-Yl]Amino]Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C23H20N8+ |
| IUPAC Name | 3-[methyl-[5-(6-methyl-2-pyridyl)-4-(7h-[1,2,4]triazolo[1,5-a]pyridin-4-ium-7-id-6-yl)imidazol-1-ium-4-ylium-2-yl]amino]benzonitrile |
| Molecular Mass | 408.459 g·mol−1 |
| Heat of Formation | 840.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.14 ± 1.08 D |
| Volume | 480.45 Å 3 |
| Surface Area | 415.09 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | 0.68 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LRKAZQDVODRWLE-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |