Geometry & MOs

Info

ID:	267637
PubChem CID:	103583074
Reduced:	BrOCl2N2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	359.94318
ΔH_f, kcal/mol:	8.92
Dipole, Da:	3.3
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=C(C=C(C=N2)Br)Cl)Cl

DOS

IR

Vibrations