Geometry & MOs

Info

ID:	322582
PubChem CID:	126670564
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	3.33
IP(EA), eV:	-9.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,3S,4S)-4-fluoro-3-methoxy-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C[C@@H]([C@H]([C@H]1C(=O)OCC2=CC=CC=C2)O)F

DOS

IR

Vibrations