(1R,9S)-3-(1-Azabicyclo[2.2.2]Oct-3-Yl)-4-Chloro-8-Oxatricyclo[7.3.1.0~2,7~]Trideca-2,4,6-Triene-6-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H25ClN2O2 |
| IUPAC Name | (1r,9s)-3-(1-azabicyclo[2.2.2]oct-3-yl)-4-chloro-8-oxatricyclo[7.3.1.0 2,7 ]trideca-2,4,6-triene-6-carboxamide |
| Molecular Mass | 360.878 g·mol−1 |
| Heat of Formation | -362.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.30 ± 1.08 D |
| Volume | 416.56 Å 3 |
| Surface Area | 332.5 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YPNHVPTXMYZJQO-IPYPFGDCSA-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 |