3-(6-Ethyl-1,3-Benzodioxol-5-Yl)-7,8-Dimethoxy-2-Methyl-1(2H)-Isoquinolinone
Properties
Property | Value |
---|---|
Formula | C21H21NO5 |
IUPAC Name | 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-isoquinolin-1-one |
Molecular Mass | 367.395 g·mol−1 |
Heat of Formation | -558.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.02 ± 1.08 D |
Volume | 422.15 Å 3 |
Surface Area | 362.75 Å 2 |
HOMO Energy | -8.13 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | OJIIXHODERBMOC-UHFFFAOYSA-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 |