Geometry & MOs

Info

ID:	122189
PubChem CID:	50797610
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	340.158706
ΔH_f, kcal/mol:	-71.43
Dipole, Da:	3.73
IP(EA), eV:	-9.32(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-N-(4-fluoro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC1=O)C3=CC=CC=C3

DOS

IR

Vibrations