Geometry & MOs

Info

ID:	72889
PubChem CID:	48416653
Reduced:	BrN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	3.52
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(O2)C(=CC=C3)Br)N4CCNC4=O

DOS

IR

Vibrations