Geometry & MOs

Info

ID:	83202
PubChem CID:	49857275
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	2.81
IP(EA), eV:	-8.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,11cS)-9,10-dimethoxy-4,4,11c-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@](CCCC2(C)C)(C3=C1OC4=C3C=CC(=C4)O)C

DOS

IR

Vibrations