9-[3-(4-Fluorophenyl)-1-Methyl-1H-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]Oxazepine
Properties
| Property | Value |
|---|---|
| Formula | C18H17FN4O |
| IUPAC Name | 9-[5-(4-fluorophenyl)-2-methyl-3h-pyrazol-2-ium-3-ylium-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine |
| Molecular Mass | 324.352 g·mol−1 |
| Heat of Formation | 75.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.83 ± 1.08 D |
| Volume | 376.72 Å 3 |
| Surface Area | 314.1 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | 2.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RDUXJEGWTNOYDA-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |