3-Methyl-7-[(5-Methyl-1-Oxa-4-Azonia-2-Azanidacyclopenta-3,4-Dien-3-Yl)Methyl]Purine-3,7-Diium-2,6-Dione
Properties
| Property | Value |
|---|---|
| Formula | C10H12N6O3+++ |
| IUPAC Name | 3-methyl-7-[(5-methyl-1-oxa-4-azonia-2-azanidacyclopenta-3,4-dien-3-yl)methyl]purine-3,7-diium-2,6-dione |
| Molecular Mass | 264.241 g·mol−1 |
| Heat of Formation | -89.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.00 ± 1.08 D |
| Volume | 280.78 Å 3 |
| Surface Area | 264.38 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | 2.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CQJGYTQBMSWHIN-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |