Geometry & MOs

Info

ID:	72641
PubChem CID:	48416389
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	387.170668
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	3.26
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl)N4CCNC4=O

DOS

IR

Vibrations