Geometry & MOs

Info

ID:	209817
PubChem CID:	80726480
Reduced:	ClO2N4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	306.007516
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	3.57
IP(EA), eV:	-9.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(6-chloro-5-formyl-2-methylpyrimidin-4-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C=O)NCCC(=O)NC2CC2

DOS

IR

Vibrations