Geometry & MOs

Info

ID:	267772
PubChem CID:	103588875
Reduced:	BrNF2O4H8C13 (1)
Stoich.:	ABC2D4E8F13 (1)
Weight, g/mol:	352.9699
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	3.32
IP(EA), eV:	-10.05(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitrophenoxy)-1-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)F)CO

DOS

IR

Vibrations