7-Chloro-8A-Isocyano-5,5,8,11,11-Pentamethyl-8-Vinyl-1,5,5A,6,7,8,8A,9,10,11-Decahydro-8Bh-1-Azacyclohepta[Mno]Aceanthrylene-8B,10-Diol
Properties
| Property | Value |
|---|---|
| Formula | C26H31ClN2O2 |
| IUPAC Name | 7-chloro-8a-isocyano-5,5,8,11,11-pentamethyl-8-vinyl-1,5,5a,6,7,8,8a,9,10,11-decahydro-8bh-1-azacyclohepta[mno]aceanthrylene-8b,10-diol |
| Molecular Mass | 438.990 g·mol−1 |
| Heat of Formation | -175.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 517.02 Å 3 |
| Surface Area | 379.41 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | 2.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JUZKIODJYIMVBI-INSWYDPJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |