Geometry & MOs

Info

ID:	1532
PubChem CID:	4652
Reduced:	ClNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	199.040006
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	2.67
IP(EA), eV:	-9.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)N)Cl

DOS

IR

Vibrations