Geometry & MOs

Info

ID:	138876
PubChem CID:	52438200
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	258.206919
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	4.19
IP(EA), eV:	-9.23(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)F)[N+](=O)[O-])CO

DOS

IR

Vibrations