Geometry & MOs

Info

ID:	353596
PubChem CID:	127285173
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	342.161329
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	8.71
IP(EA), eV:	-9.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-cyclopentylsulfonylacetyl)piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations