2-{3-[4-(4-Chlorophenyl)-1-Piperazinyl]Propyl}-5-(1-Hydroxyethyl)-4-(2-Phenoxyethyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C25H32ClN5O3 |
| IUPAC Name | 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-[(1s)-1-hydroxyethyl]-4-(2-phenoxyethyl)-1,2,4-triazole-2,4-diium-3-one |
| Molecular Mass | 486.006 g·mol−1 |
| Heat of Formation | -209.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.24 ± 1.08 D |
| Volume | 591.6 Å 3 |
| Surface Area | 493.41 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | -0.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PPJRQXMDFSRWFH-FQEVSTJZSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |