Geometry & MOs

Info

ID:	267547
PubChem CID:	103582681
Reduced:	BrClION3H6C12 (1)
Stoich.:	ABCDE3F6G12 (1)
Weight, g/mol:	315.94143
ΔH_f, kcal/mol:	72.9
Dipole, Da:	4.64
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-3-chloropyridin-2-yl)oxy-2-fluoroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations