Geometry & MOs

Info

ID:	267644
PubChem CID:	103583093
Reduced:	BrCl2N2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	306.95119
ΔH_f, kcal/mol:	46.57
Dipole, Da:	1.22
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-3-chloropyridin-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=C(C=C(C=N2)Br)Cl)Cl

DOS

IR

Vibrations