Geometry & MOs

Info

ID:	209869
PubChem CID:	80732876
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	272.046489
ΔH_f, kcal/mol:	-15.2
Dipole, Da:	8.72
IP(EA), eV:	-8.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC2=CC(=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations