Geometry & MOs

Info

ID:	323256
PubChem CID:	126673823
Reduced:	BrFN2O3C13H20 (1)
Stoich.:	ABC2D3E13F20 (1)
Weight, g/mol:	259.066757
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	5.86
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methoxypyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(CCOC1=CC(=C(C(=C1N)N)F)Br)OCC

DOS

IR

Vibrations