Geometry & MOs

Info

ID:	18308
PubChem CID:	539583
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-179.06
Dipole, Da:	3.13
IP(EA), eV:	-10.49(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-hydroxybutyl)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCCCC1CCCCO

DOS

IR

Vibrations