2-[5-Amino-5-Methyl-4,16-Dioxo-14-Phenyl-3-Oxa-15-Azatricyclo[15.3.1.1~7,11~]Docosa-1(21),7(22),8,10,12,14,17,19-Octaen-19-Yl]Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C34H27N3O3 |
| IUPAC Name | 2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(21),7,9,11(22),12,14,17,19-octaen-19-yl]benzonitrile |
| Molecular Mass | 525.596 g·mol−1 |
| Heat of Formation | 76.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.44 ± 1.08 D |
| Volume | 644.6 Å 3 |
| Surface Area | 448.26 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | 2.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GWSQLGYWQZHSHS-UUWRZZSWSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |