Geometry & MOs

Info

ID:	13211
PubChem CID:	223382
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	227.034921
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	4.26
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloroanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CCC(=O)O)Cl

DOS

IR

Vibrations