2-[2-(4-Chlorophenyl)-2-Oxoethyl]-4-[4-(4-Hydroxyphenyl)-1-Piperazinyl]-5-Methyl-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C21H22ClN5O3 |
| IUPAC Name | 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-methyl-1,2,4-triazole-2,4-diium-3-one |
| Molecular Mass | 427.884 g·mol−1 |
| Heat of Formation | -57.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.15 ± 1.08 D |
| Volume | 483.85 Å 3 |
| Surface Area | 418.94 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | 2.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VZSLWTZQSOCFIA-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |