Geometry & MOs

Info

ID:	302565
PubChem CID:	124385090
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	2.17
Dipole, Da:	2.8
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1C(=NN(C1=O)C2=CC=CC=C2)NC3=CC(=CC=C3)O

DOS

IR

Vibrations