Geometry & MOs

Info

ID:	18622
PubChem CID:	544684
Reduced:	FN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	295.13322
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	7.16
IP(EA), eV:	-9.06(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations