Geometry & MOs

Info

ID:	8524
PubChem CID:	78870
Reduced:	BrNO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	230.95311
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	6.71
IP(EA), eV:	-9.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-methoxy-4-nitrobenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations