Geometry & MOs

Info

ID:	267799
PubChem CID:	103589447
Reduced:	BrO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	370.96723
ΔH_f, kcal/mol:	31.12
Dipole, Da:	6.59
IP(EA), eV:	-9.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-bromo-5-nitrophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OCC2=CN=C(C=N2)N)Br)[N+](=O)[O-]

DOS

IR

Vibrations