(1S,3Ar,9Br)-3A-Benzyl-1-[(Dimethylamino)Methyl]-3A,4,5,9B-Tetrahydronaphtho[2,1-B]Furan-2(1H)-One
Properties
Property | Value |
---|---|
Formula | C22H25NO2 |
IUPAC Name | (1r,3ar,9br)-3a-benzyl-1-[(dimethylamino)methyl]-1,4,5,9b-tetrahydrobenzo[e]benzofuran-2-one |
Molecular Mass | 335.439 g·mol−1 |
Heat of Formation | -223.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.54 ± 1.08 D |
Volume | 423.75 Å 3 |
Surface Area | 348.41 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | 0.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | UOJPFYJGVXXLTP-JAXLGGSGSA-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 |