Geometry & MOs

Info

ID:	296204
PubChem CID:	117560631
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	260.046489
ΔH_f, kcal/mol:	70.63
Dipole, Da:	6.43
IP(EA), eV:	-9.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-methoxyanilino)pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=NC=NC(=C2)C#N

DOS

IR

Vibrations