Geometry & MOs

Info

ID:	55058
PubChem CID:	17389711
Reduced:	NSH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	47.77
Dipole, Da:	2.33
IP(EA), eV:	-8.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations