1,3,7-Trimethylhexahydro-1H-Purine-2,6-Dione
Properties
Property | Value |
---|---|
Formula | C8H14N4O2 |
IUPAC Name | 1,3,7-trimethylpurin-9-ium-5-ide-2,6-dione |
Molecular Mass | 198.222 g·mol−1 |
Heat of Formation | -193.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.68 ± 1.08 D |
Volume | 218.67 Å 3 |
Surface Area | 208.66 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | Cs |
InChIKey | QISGHOCVHLUEOE-UHFFFAOYSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |