4,6-Dimethyl-4H-(1,2,5)Oxadiazolo(3,4-D)Pyrimidine-5,7-Dione 1-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C6H6N4O4 |
| IUPAC Name | 4,6-dimethyl-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione |
| Molecular Mass | 198.136 g·mol−1 |
| Heat of Formation | -114.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.88 ± 1.08 D |
| Volume | 199.49 Å 3 |
| Surface Area | 194.59 Å 2 |
| HOMO Energy | -9.94 ± 0.55 eV |
| LUMO Energy | -1.69 ± eV |
| Point Group Symmetry | Cs |
| InChIKey | NXKINPJXIQQAAF-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 |