Geometry & MOs

Info

ID:	184567
PubChem CID:	77176531
Reduced:	Cl2N2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	370.085098
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	5.33
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[4-chloro-3-(1-pyridin-4-ylethoxy)phenyl]butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=C(C=CC(=C2)C(CC(=O)O)CN)Cl.Cl

DOS

IR

Vibrations