2-Amino-7-Benzo[B]Pyren-6-Yl-3H-Purine-1,9-Diium-5-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C25H22N5O+ |
| IUPAC Name | (2r,4s,5r)-2-amino-7-benzo[b]pyren-6-yl-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one |
| Molecular Mass | 408.475 g·mol−1 |
| Heat of Formation | 478.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.69 ± 1.08 D |
| Volume | 441.59 Å 3 |
| Surface Area | 371.64 Å 2 |
| HOMO Energy | -8.38 ± 0.55 eV |
| LUMO Energy | 0.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HIAJYEKMEZGDAK-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |