Geometry & MOs

Info

ID:	122195
PubChem CID:	50797664
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	390.03792
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	2.02
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)NCCC2=CC=CO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations