Geometry & MOs

Info

ID:	209870
PubChem CID:	80732879
Reduced:	ClON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	49.54
Dipole, Da:	3.21
IP(EA), eV:	-9.5(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations