1,3-Dimethyl-7-(~11~C)Methyl-8-[(E)-2-(3,4,5-Trimethoxyphenyl)Vinyl]-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
Property | Value |
---|---|
Formula | C19H22N4O5 |
IUPAC Name | 1,3-dimethyl-7-(111c)methyl-8-[(e)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione |
Molecular Mass | 385.403 g·mol−1 |
Heat of Formation | -504.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.31 ± 1.08 D |
Volume | 444.1 Å 3 |
Surface Area | 399.1 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | -0.91 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | KIAYWZXEAJWSGJ-NWHGENIKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |