(1R,5S)-3-Butyl-7-{4-[4-(2-Methoxyphenyl)-1-Piperazinyl]Butyl}-9,9-Dimethyl-3,7-Diazabicyclo[3.3.1]Nonane-2,4,6,8-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C28H40N4O5 |
| IUPAC Name | (1r,5s)-3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone |
| Molecular Mass | 512.641 g·mol−1 |
| Heat of Formation | -852.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.21 ± 1.08 D |
| Volume | 634.6 Å 3 |
| Surface Area | 522.67 Å 2 |
| HOMO Energy | -8.07 ± 0.55 eV |
| LUMO Energy | 2.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BXNRTMZZILHVNJ-ZRZAMGCNSA-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 |