(±)-1,8-Dimethyl-3-(2-Methybutyl)Xanthine
Properties
Property | Value |
---|---|
Formula | C12H18N4O2 |
IUPAC Name | 1,8-dimethyl-3-[(2s)-2-methylbutyl]-7h-purine-2,6-dione |
Molecular Mass | 250.297 g·mol−1 |
Heat of Formation | -324.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 305.33 Å 3 |
Surface Area | 274.78 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | -0.43 ± eV |
Point Group Symmetry | C1 |
InChIKey | MTBUJUHRXVGLEF-ZETCQYMHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |