Geometry & MOs

Info

ID:	27412
PubChem CID:	821214
Reduced:	ClN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	3.92
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations