(3S,6S)-6-(3-Aminopropyl)-3-Isopropyl-13-(7-Methylnonyl)-1,4,7,10-Tetraazacyclotridecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C25H47N5O4 |
| IUPAC Name | (3s,6s,13r)-6-(3-aminopropyl)-3-(1-methylethyl)-13-[(7r)-7-methylnonyl]-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| Molecular Mass | 481.672 g·mol−1 |
| Heat of Formation | -1024.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.61 ± 1.08 D |
| Volume | 653.54 Å 3 |
| Surface Area | 529.68 Å 2 |
| HOMO Energy | -9.66 ± 0.55 eV |
| LUMO Energy | 0.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BCORRXOGBNOQQU-NVJIOZQYSA-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 |