6-Amino-9-Benzyl-2-(2-Methoxyethoxy)-7H-Purine-1,3-Diium-5-Id-8-One
Properties
Property | Value |
---|---|
Formula | C15H18N5O3 |
IUPAC Name | 6-amino-9-benzyl-2-(2-methoxyethoxy)-7h-purine-1,3-diium-5-id-8-one |
Molecular Mass | 316.335 g·mol−1 |
Heat of Formation | -199.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.58 ± 1.08 D |
Volume | 365.04 Å 3 |
Surface Area | 323.99 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | 2.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | OIEDGTUVLUDLSZ-UHFFFAOYSA-O |
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Elements | H C O N |