Geometry & MOs

Info

ID:	139057
PubChem CID:	52466639
Reduced:	SN2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	303.090686
ΔH_f, kcal/mol:	11.06
Dipole, Da:	5.68
IP(EA), eV:	-9.26(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluoro-2-nitrophenoxy)phenyl]butan-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)SC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations