(1S,3As,3Br,10As,10Bs,12As)-1-(Chloroethynyl)-10A,12A-Dimethyl-2,3,3A,3B,6A,10A,10B,11,12,12A-Decahydro-1H-Cyclopenta[7,8]Phenanthro[3,2-D][1,2]Oxazol-1-Ol
Properties
| Property | Value |
|---|---|
| Formula | C22H24ClNO2 |
| IUPAC Name | (1s,3as,3br,10as,10bs,12as)-1-(chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,6a,10a,10b,11,12,12a-decahydro-1h-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol |
| Molecular Mass | 369.884 g·mol−1 |
| Heat of Formation | 175.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.79 ± 1.08 D |
| Volume | 433.61 Å 3 |
| Surface Area | 351.93 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AEPGMFBWGRGIPT-LFCPWCDWSA-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 |