Geometry & MOs

Info

ID:	306338
PubChem CID:	125003831
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	35.81
Dipole, Da:	7.2
IP(EA), eV:	-9.12(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC=CN=C2[C@@H]3CCCN(C3)CC4=CC=NN4

DOS

IR

Vibrations