Geometry & MOs

Info

ID:	379427
PubChem CID:	134419409
Reduced:	O3C12H22 (2)
Stoich.:	A3B12C22 (2)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-356.15
Dipole, Da:	2.84
IP(EA), eV:	-10.01(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropyl)-6-hydroxy-2-(hydroxymethyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CC1CCC2C(C1CO)(OC3CC(CC(C3(O2)O)CO)CC(C)(C)C)O

DOS

IR

Vibrations