Theacrine
Properties
Property | Value |
---|---|
Formula | C9H12N4O3 |
IUPAC Name | 1,3,7,9-tetramethylpurine-4,5-diide-2,6,8-trione |
Molecular Mass | 224.217 g·mol−1 |
Heat of Formation | -410.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.32 ± 1.08 D |
Volume | 249.36 Å 3 |
Surface Area | 230.72 Å 2 |
HOMO Energy | -8.48 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | Cs |
CAS Number(s) |
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InChIKey | QGDOQULISIQFHQ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |