Geometry & MOs

Info

ID:	83481
PubChem CID:	49857643
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	1.72
IP(EA), eV:	-9.31(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,3S,4R,4aS,8aR)-1-[2-(furan-3-yl)ethyl]-3,4-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1C=C[C@H]([C@@H]2CCC3=COC=C3)C(=O)OC)(C)C

DOS

IR

Vibrations