Geometry & MOs

Info

ID:	137881
PubChem CID:	52278902
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	404.05357
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	3.2
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)NC3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations