Geometry & MOs

Info

ID:	378265
PubChem CID:	134224341
Reduced:	O3N7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	7.87
IP(EA), eV:	-8.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2=CC=CC=C2C(=O)C(=O)N(C)C)NC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations