17-(4-Hydroxybenzyl)-18,23-Dioxo-1,6,10,22-Tetraazatricyclo[9.7.6.1~12,16~]Pentacosa-12(25),13,15-Trien-15-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C30H40N4O5 |
| IUPAC Name | [13-[(4-hydroxyphenyl)methyl]-12,20-dioxo-2,6,11,21-tetrazatricyclo[9.7.6.114,18]pentacosa-14,16,18(25)-trien-15-yl] acetate |
| Molecular Mass | 536.662 g·mol−1 |
| Heat of Formation | -492.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.32 ± 1.08 D |
| Volume | 630.08 Å 3 |
| Surface Area | 431.74 Å 2 |
| HOMO Energy | -8.55 ± 0.55 eV |
| LUMO Energy | 2.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LSZMIIMBHCIRKT-SXOMAYOGSA-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 |