Geometry & MOs

Info

ID:	22936
PubChem CID:	600047
Reduced:	NCl2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	233.001034
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	3.72
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichloroanilino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCCC(=O)O)Cl)Cl

DOS

IR

Vibrations