2-{4-[(4-Bromo-1-Methyl-1H-Pyrazol-3-Yl)Carbonyl]-1-Piperazinyl}-1-(4-Fluorophenyl)Ethanone
Properties
| Property | Value |
|---|---|
| Formula | C17H18BrFN4O2 |
| IUPAC Name | 2-[4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone |
| Molecular Mass | 409.253 g·mol−1 |
| Heat of Formation | -129.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.09 ± 1.08 D |
| Volume | 419.87 Å 3 |
| Surface Area | 363.37 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | -0.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WHQBXIJBXXREON-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N Br |