Geometry & MOs

Info

ID:	22042
PubChem CID:	595890
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	4.02
IP(EA), eV:	-9.76(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-(hydroxymethyl)-1,1-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCCCC2(CCC1O)CO)C

DOS

IR

Vibrations