Geometry & MOs

Info

ID:	123222
PubChem CID:	50838223
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	431.124798
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	6.53
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetamidophenyl)-N-(2-chloro-4,6-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations