2-(4-Azepanyl)-4-(4-Chlorobenzyl)-1(2H)-Phthalazinone
Properties
| Property | Value |
|---|---|
| Formula | C21H22ClN3O |
| IUPAC Name | 2-[(4s)-azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one |
| Molecular Mass | 367.872 g·mol−1 |
| Heat of Formation | 78.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.33 ± 1.08 D |
| Volume | 438.98 Å 3 |
| Surface Area | 347.73 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WRYCMIFVXDQIKN-KRWDZBQOSA-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 |