Geometry & MOs

Info

ID:	83322
PubChem CID:	49857449
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	4.12
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC=C([C@@H]2CCC3=COC=C3)CO)(C)C

DOS

IR

Vibrations