12-Isopropyl-9-[4-(4-Methoxyphenyl)Butyl]-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C24H33N3O6 |
| IUPAC Name | (3s,9s,12s)-12-isopropyl-9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone |
| Molecular Mass | 459.535 g·mol−1 |
| Heat of Formation | -1021.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.46 ± 1.08 D |
| Volume | 565.1 Å 3 |
| Surface Area | 470.02 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | -0.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HIZFOBQMHOLKJR-VDGAXYAQSA-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 |