Geometry & MOs

Info

ID:	217124
PubChem CID:	85087292
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-187.58
Dipole, Da:	4.94
IP(EA), eV:	-10.21(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,8a-trimethyl-5-[2-(2-oxooxolan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2(C(C1(C)CCC3=CC(=O)OC3O)CCC(C2=C)O)C

DOS

IR

Vibrations