8-[[4-[2-(1,3-Diaza-2-Azonia-4-Azanidacyclopenta-2,5-Dien-5-Yl)Phenyl]Phenyl]Methyl]-5-Methyl-7-Propyl-[1,2,4]Triazolo[1,5-C]Pyrimidine-3,4-Diium-2-One
Properties
| Property | Value |
|---|---|
| Formula | C23H23N8O+ |
| IUPAC Name | 8-[[4-[2-(1,3-diaza-2-azonia-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]-5-methyl-7-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-3,4-diium-2-one |
| Molecular Mass | 427.482 g·mol−1 |
| Heat of Formation | 561.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.82 ± 1.08 D |
| Volume | 503.04 Å 3 |
| Surface Area | 406.98 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -1.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZYDWPLJSSUFTFQ-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |