Geometry & MOs

Info

ID:	27646
PubChem CID:	822785
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	5.84
IP(EA), eV:	-8.49(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)CC#N)OCC

DOS

IR

Vibrations