2-{3-[4-(4-Chlorophenyl)-1-Piperazinyl]Propyl}-4-Ethyl-5-(1-Hydroxyethyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
Property | Value |
---|---|
Formula | C19H28ClN5O2 |
IUPAC Name | 2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethyl-5-[(1s)-1-hydroxyethyl]-1,2,4-triazole-2,4-diium-3-one |
Molecular Mass | 393.911 g·mol−1 |
Heat of Formation | -186.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.50 ± 1.08 D |
Volume | 486.53 Å 3 |
Surface Area | 401.46 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | -0.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | SFUAKAHYRGEXLE-HNNXBMFYSA-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 |