Geometry & MOs

Info

ID:	146923
PubChem CID:	53773019
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-149.86
Dipole, Da:	3.94
IP(EA), eV:	-9.61(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxybutan-2-yl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C=C1CCCCC1)C(=O)C

DOS

IR

Vibrations