Geometry & MOs

Info

ID:	146924
PubChem CID:	53773089
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	3.93
IP(EA), eV:	-10.05(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCO)C1CCC2C1(CCCC2O)C

DOS

IR

Vibrations