4-[5-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyridinyl)-1H-1,2,4-Triazol-3-Yl]-6-Oxo-1,6-Dihydro-2-Pyridinecarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C13H8N6O3 |
| IUPAC Name | 4-[5-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyridinyl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydro-2-pyridinecarbonitrile |
| Molecular Mass | 296.241 g·mol−1 |
| Heat of Formation | 1498.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.85 ± 1.08 D |
| Volume | 279.66 Å 3 |
| Surface Area | 300.37 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -4.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YUNURAZDMHEFGV-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |