Geometry & MOs

Info

ID:	378189
PubChem CID:	134224265
Reduced:	ClN3O3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	304.072703
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	4.64
IP(EA), eV:	-9.52(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-chloropyrimidin-4-yl)amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(=O)O)NC2=NC(=NC=C2)Cl

DOS

IR

Vibrations