4-Phenyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
Properties
| Property | Value |
|---|---|
| Formula | C12H13N3O |
| IUPAC Name | 4-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one |
| Molecular Mass | 215.251 g·mol−1 |
| Heat of Formation | 137.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.68 ± 1.08 D |
| Volume | 266.72 Å 3 |
| Surface Area | 256.83 Å 2 |
| HOMO Energy | -9.86 ± 0.55 eV |
| LUMO Energy | 2.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WVMHBWUDAPTOQF-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |