Geometry & MOs

Info

ID:	267790
PubChem CID:	103589310
Reduced:	Br2N2O3H8C12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	404.88345
ΔH_f, kcal/mol:	23.3
Dipole, Da:	4.72
IP(EA), eV:	-10.04(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(3-bromo-5-nitrophenoxy)methyl]-1-fluorobenzene

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations