7-Hydroxy-3H-Purine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C5H11N4O2+ |
IUPAC Name | 7-hydroxy-3h-purine-1,9-diium-5-id-6-one |
Molecular Mass | 159.166 g·mol−1 |
Heat of Formation | 85.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.23 ± 1.08 D |
Volume | 154.46 Å 3 |
Surface Area | 158.51 Å 2 |
HOMO Energy | -9.45 ± 0.55 eV |
LUMO Energy | 2.23 ± eV |
Point Group Symmetry | Cs |
InChIKey | YMEDTDJNSWNKQZ-UHFFFAOYSA-O |
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Elements | H C O N |