(1R,8R,9S,13S)-11-[2-(2-Methoxyphenyl)Acryloyl]-1-Phenyl-11-Azatetracyclo[6.5.2.0~2,7~.0~9,13~]Pentadeca-2,4,6-Triene-9-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H29NO4 |
| IUPAC Name | (1r,8r,9s,13s)-11-[2-(2-methoxyphenyl)acryloyl]-1-phenyl-11-azatetracyclo[6.5.2.0 2,7 .0 9,13 ]pentadeca-2,4,6-triene-9-carboxylic acid |
| Molecular Mass | 479.566 g·mol−1 |
| Heat of Formation | -370.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.77 ± 1.08 D |
| Volume | 577.14 Å 3 |
| Surface Area | 428.13 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | 2.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UMLXJXCOOBRTMY-XSVIJKGOSA-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 |