Geometry & MOs

Info

ID:	6848
PubChem CID:	70246
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-149.93
Dipole, Da:	6.87
IP(EA), eV:	-10.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxooctanoic acid

Drug info:

PubChemData

Smile

C(CCCC(=O)O)CCC=O

DOS

IR

Vibrations