Geometry & MOs

Info

ID:	261450
PubChem CID:	103234563
Reduced:	ClNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	6.86
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chloroanilino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CNC2=CC=CC=C2Cl

DOS

IR

Vibrations