Geometry & MOs

Info

ID:	48441
PubChem CID:	10584660
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-144.52
Dipole, Da:	3.44
IP(EA), eV:	-10.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylcyclohexyl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(=C)C(CO)C1CCCCC1

DOS

IR

Vibrations