9-Methyl-7,9-Dihydro-1H-Purine-2,6,8(3H)-Trione
Properties
Property | Value |
---|---|
Formula | C6H6N4O3 |
IUPAC Name | 9-methyl-3,7-dihydropurine-4,5-diide-2,6,8-trione |
Molecular Mass | 182.137 g·mol−1 |
Heat of Formation | -408.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.75 ± 1.08 D |
Volume | 187.96 Å 3 |
Surface Area | 187.08 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | 2.23 ± eV |
Point Group Symmetry | Cs |
Synonyms |
|
CAS Number(s) |
|
InChIKey | XJEJWDFDVPDMAS-UHFFFAOYSA-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 |