Geometry & MOs

Info

ID:	378266
PubChem CID:	134224342
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	318.088353
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	3.55
IP(EA), eV:	-9.27(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2=CC=CC=C2C(=O)C(=O)O)Cl

DOS

IR

Vibrations