Geometry & MOs

Info

ID:	302566
PubChem CID:	124385100
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	3.19
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(4-methylpyridin-2-yl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)NC2=CC=C(C=C2)[C@@H](C)C(=O)O

DOS

IR

Vibrations