Geometry & MOs

Info

ID:	267779
PubChem CID:	103589058
Reduced:	BrON2F3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	297.95085
ΔH_f, kcal/mol:	-115.46
Dipole, Da:	5.79
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(3-chloropyridin-4-yl)oxyaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C#N)OC2=CC(=CC(=C2)N)Br

DOS

IR

Vibrations