Geometry & MOs

Info

ID:	302567
PubChem CID:	124385102
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-48.29
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-chloro-4-(pyridin-2-ylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=CC=C(C=C2)[C@@H](C)C(=O)O

DOS

IR

Vibrations