2-Amino-7-Methyl-1H-Purine-3,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C6H9N5O |
IUPAC Name | 2-amino-7-methyl-1h-purine-3,9-diium-5-id-6-one |
Molecular Mass | 167.169 g·mol−1 |
Heat of Formation | 71.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.21 ± 1.08 D |
Volume | 180.17 Å 3 |
Surface Area | 181.05 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | -0.79 ± eV |
Point Group Symmetry | C1 |
InChIKey | KBUMSXGIGXHLCZ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |