Geometry & MOs

Info

ID:	267613
PubChem CID:	103582991
Reduced:	BrClN4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	347.97774
ΔH_f, kcal/mol:	84.7
Dipole, Da:	1.49
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-bromo-3-chloropyridin-2-yl)imidazol-2-yl]aniline

Drug info:

PubChemData

Smile

C1=CN(N=C1N)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations