Geometry & MOs

Info

ID:	4933
PubChem CID:	12300
Reduced:	ClO2C4H7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	122.013457
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	3.93
IP(EA), eV:	-10.82(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorobutanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)CCl

DOS

IR

Vibrations