Geometry & MOs

Info

ID:	18678
PubChem CID:	546158
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	3.13
IP(EA), eV:	-10.17(2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(hydroxymethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(C(C1)CO)O

DOS

IR

Vibrations