Geometry & MOs

Info

ID:	284054
PubChem CID:	104030585
Reduced:	BrO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	341.94068
ΔH_f, kcal/mol:	74.71
Dipole, Da:	7.08
IP(EA), eV:	-9.96(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-chloro-4-nitrophenoxy)-3-methylpyridine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2C=C(C=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations