Geometry & MOs

Info

ID:	267546
PubChem CID:	103582679
Reduced:	BrClON3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	448.84275
ΔH_f, kcal/mol:	59.31
Dipole, Da:	6.91
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(5-bromo-3-chloropyridin-2-yl)oxy-5-iodobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C#N)OC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations