7-[2-Hydroxy-4-Phenyl-3-(1-Piperazinyl)Butyl]-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
| Property | Value |
|---|---|
| Formula | C21H28N6O3 |
| IUPAC Name | 7-[(2s,3s)-2-hydroxy-4-phenyl-3-piperazin-1-yl-butyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione |
| Molecular Mass | 412.485 g·mol−1 |
| Heat of Formation | 2712.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.16 ± 1.08 D |
| Volume | 400.97 Å 3 |
| Surface Area | 316.89 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | -2.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLYYYPPNTJHUJD-DLBZAZTESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |