(1S,3As,3Br,10Ar,10Bs,12As)-1-(Chloroethynyl)-10A,12A-Dimethyl-2,3,3A,3B,4,5,10,10A,10B,11,12,12A-Dodecahydro-1H-Cyclopenta[7,8]Phenanthro[3,2-D][1,2]Oxazol-1-Ol
Properties
| Property | Value |
|---|---|
| Formula | C22H26ClNO2 |
| IUPAC Name | (1s,3as,3br,10ar,10bs,12as)-1-(chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1h-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol |
| Molecular Mass | 371.900 g·mol−1 |
| Heat of Formation | 40.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.18 ± 1.08 D |
| Volume | 440.64 Å 3 |
| Surface Area | 356.14 Å 2 |
| HOMO Energy | -8.92 ± 0.55 eV |
| LUMO Energy | -0.32 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| CAS Number(s) |
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| InChIKey | HJKQEKJFOUTKGJ-WNHSNXHDSA-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 |