Cafedrine
Properties
Property | Value |
---|---|
Formula | C18H23N5O3 |
IUPAC Name | 7-[2-[[(1s,2r)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]ethyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione |
Molecular Mass | 357.407 g·mol−1 |
Heat of Formation | -304.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.63 ± 1.08 D |
Volume | 424.99 Å 3 |
Surface Area | 362.91 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | 2.52 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | UJSKUDDDPKGBJY-WFASDCNBSA-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 |