Geometry & MOs

Info

ID:	72891
PubChem CID:	48416655
Reduced:	BrFN3O3C17H21 (1)
Stoich.:	ABC3D3E17F21 (1)
Weight, g/mol:	417.03495
ΔH_f, kcal/mol:	-147.25
Dipole, Da:	4.54
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluoro-2-iodobenzoyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2CCNC2=O)OC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations