Geometry & MOs

Info

ID:	10144
PubChem CID:	98109
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	241.050571
ΔH_f, kcal/mol:	-121.8
Dipole, Da:	4.88
IP(EA), eV:	-9.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloroacetyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCl

DOS

IR

Vibrations