4-[7-(3,3-Dimethyl-1-Butyn-1-Yl)-1-Naphthyl]-5-Methoxy-2-Methyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C20H21N3O2 |
| IUPAC Name | 4-[7-(3,3-dimethylbut-1-ynyl)-1-naphthyl]-5-methoxy-2-methyl-1,2,4-triazole-2,4-diium-3-one |
| Molecular Mass | 335.400 g·mol−1 |
| Heat of Formation | 167.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.02 ± 1.08 D |
| Volume | 419.09 Å 3 |
| Surface Area | 378.28 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XLOATFKILHMZGY-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 |