Geometry & MOs

Info

ID:	267542
PubChem CID:	103582671
Reduced:	BrClN2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	311.9665
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	1.29
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloropyridin-2-yl)oxy-2-methylaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC2=C(C=C(C=N2)Br)Cl)N

DOS

IR

Vibrations