3,5-Dibromo-6'-Hydroxy-5'-Methoxy-1'-Methyl-2',3',8',8A'-Tetrahydro-1'H,4H-Spiro[Cyclohexa-2,5-Diene-1,7'-Cyclopenta[Ij]Isoquinolin]-4-One
Properties
| Property | Value |
|---|---|
| Formula | C18H17Br2NO3 |
| IUPAC Name | (4s,5s)-2',6'-dibromo-11-hydroxy-10-methoxy-5-methyl-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Molecular Mass | 455.140 g·mol−1 |
| Heat of Formation | -176.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.50 ± 1.08 D |
| Volume | 405.74 Å 3 |
| Surface Area | 346.29 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -1.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CHIIYNHRBKMNTF-LBPRGKRZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |