Geometry & MOs

Info

ID:	260725
PubChem CID:	103201778
Reduced:	FNO5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	7.41
IP(EA), eV:	-9.63(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxy-3-nitrophenoxy)hexan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC2=C(C=C(C=C2)F)C=O)[N+](=O)[O-]

DOS

IR

Vibrations