Geometry & MOs

Info

ID:	84188
PubChem CID:	49864874
Reduced:	ClFN2O2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	284.072784
ΔH_f, kcal/mol:	-97.43
Dipole, Da:	3.1
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)NCC2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3

DOS

IR

Vibrations