3-(4-Cyano-4-(3,4-Dimethoxyphenyl)-5-Methylhex-1-Yl)-1,2,3,4-Tetrahydro-6,7-Dimethoxy-2-Methylisoquinoline
Properties
| Property | Value |
|---|---|
| Formula | C28H38N2O4 |
| IUPAC Name | (2s)-5-[(3r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-3-yl]-2-(3,4-dimethoxyphenyl)-2-(1-methylethyl)pentanenitrile |
| Molecular Mass | 466.612 g·mol−1 |
| Heat of Formation | 4281.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 14.51 ± 1.08 D |
| Volume | 588.45 Å 3 |
| Surface Area | 517.55 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -3.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AABJQPAMCMMSDZ-LXFBAYGMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |