N-{(1S)-1-[8-Chloro-2-(3-Fluorophenyl)-3-Quinolinyl]Ethyl}-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C22H16ClFN6 |
| IUPAC Name | n-[(1s)-1-[8-chloro-2-(3-fluorophenyl)-3-quinolyl]ethyl]purin-9-ium-6-amine |
| Molecular Mass | 418.854 g·mol−1 |
| Heat of Formation | 330.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.98 ± 1.08 D |
| Volume | 465.27 Å 3 |
| Surface Area | 392.98 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | 1.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OBNLXBLOBJTAKW-LBPRGKRZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl F N |