3,5-Dibromo-5'-Methoxy-1'-Methyl-2',3',8',8A'-Tetrahydro-1'H-Spiro[Cyclohexa-2,5-Diene-1,7'-Cyclopenta[Ij]Isoquinoline]-4,6'-Diol
Properties
Property | Value |
---|---|
Formula | C18H19Br2NO3 |
IUPAC Name | (4s)-2',6'-dibromo-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',11-diol |
Molecular Mass | 457.156 g·mol−1 |
Heat of Formation | -237.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.46 ± 1.08 D |
Volume | 416.14 Å 3 |
Surface Area | 349.62 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | JUGNWQJYSAIQSO-ULFGMLNVSA-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 |