Geometry & MOs

Info

ID:	38544
PubChem CID:	8137027
Reduced:	BrFN2O3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-124.42
Dipole, Da:	3.51
IP(EA), eV:	-9.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations