Geometry & MOs

Info

ID:	342728
PubChem CID:	127265888
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	4.97
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(3-phenylprop-2-enyl)amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC2=NC(=NN2)SCCOC3CCCCO3

DOS

IR

Vibrations