Geometry & MOs

Info

ID:	30942
PubChem CID:	853856
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	2.43
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2Cl)C

DOS

IR

Vibrations