9-[3-(4-Hydroxyphenyl)Propyl]-12-Isopropyl-3-Methyl-6-Methylene-1-Oxa-4,7,10-Triazacyclododecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C22H29N3O6 |
| IUPAC Name | (3r,9s,12s)-9-[3-(4-hydroxyphenyl)propyl]-12-isopropyl-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone |
| Molecular Mass | 431.482 g·mol−1 |
| Heat of Formation | -1020.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.75 ± 1.08 D |
| Volume | 530.64 Å 3 |
| Surface Area | 428.94 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -0.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KXURJQNPXSDHDB-JLSDUUJJSA-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 |