(3Ar,9Br)-2-Methyl-2,3,3A,4,5,9B-Hexahydro-1H-Benzo[E]Isoindole-6,7-Diol
Properties
Property | Value |
---|---|
Formula | C13H17NO2 |
IUPAC Name | (3as,9bs)-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole-6,7-diol |
Molecular Mass | 219.280 g·mol−1 |
Heat of Formation | -298.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.06 ± 1.08 D |
Volume | 267.12 Å 3 |
Surface Area | 239.65 Å 2 |
HOMO Energy | -8.63 ± 0.55 eV |
LUMO Energy | 0.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | GADBWSAMUVMXIT-KCJUWKMLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |