N-[(2R)-2-Butanyl]-1-(2-Chlorophenyl)-N-(~11~C)Methyl-3-Isoquinolinecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H21ClN2O |
| IUPAC Name | 1-(2-chlorophenyl)-n-methyl-n-[(1r)-1-methylpropyl]isoquinoline-3-carboxamide |
| Molecular Mass | 351.858 g·mol−1 |
| Heat of Formation | 8.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.92 ± 1.08 D |
| Volume | 426.93 Å 3 |
| Surface Area | 356.22 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | 1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RAVIZVQZGXBOQO-NIQXDKTISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |