Geometry & MOs

Info

ID:	302568
PubChem CID:	124385107
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	6.12
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-chloro-4-(pyridin-2-ylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)NC2=CC=CC=N2)Cl)C(=O)O

DOS

IR

Vibrations