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 |