Geometry & MOs

Info

ID:	122008
PubChem CID:	50789340
Reduced:	FO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	355.112126
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	3.97
IP(EA), eV:	-9.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-3-propylimidazolidin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(C1=O)C2CCN(CC2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations