7-But-2-Ynyl-9-(6-Methoxypyridin-1-Ium-3-Id-3-Yl)-6-Piperazin-1-Yl-Purine-1,3-Diium-5-Id-8-One
Properties
| Property | Value |
|---|---|
| Formula | C19H21N7O2 |
| IUPAC Name | 7-but-2-ynyl-9-(6-methoxypyridin-1-ium-3-id-3-yl)-6-piperazin-1-yl-purine-1,3-diium-5-id-8-one |
| Molecular Mass | 379.416 g·mol−1 |
| Heat of Formation | 284.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.22 ± 1.08 D |
| Volume | 443.35 Å 3 |
| Surface Area | 374.13 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PHVFUIJYVRGDRE-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |