3,9-Bis(4-Hydroxybenzyl)-6-Isobutyl-4,10,12-Trimethyl-3,4,6,7,9,10,12,13-Octahydro-1,4,7,10,13-Benzopentaazacyclohexadecine-2,5,8,11,14(1H)-Pentone
Properties
| Property | Value |
|---|---|
| Formula | C36H43N5O7 |
| IUPAC Name | (4s,7s,10s,13s)-4,10-bis[(4-hydroxyphenyl)methyl]-7-isobutyl-5,11,13-trimethyl-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone |
| Molecular Mass | 657.756 g·mol−1 |
| Heat of Formation | -1106.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.50 ± 1.08 D |
| Volume | 790.96 Å 3 |
| Surface Area | 589.34 Å 2 |
| HOMO Energy | -8.89 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CXJXJVPRDGROSV-RHFBVIABSA-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 |