Geometry & MOs

Info

ID:	133755
PubChem CID:	51586432
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	3.15
IP(EA), eV:	-8.93(0.13)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-[[5-(hydroxymethyl)furan-2-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(O1)CO)[C@@H]2CCC[NH+](C2)CC3=CC=CC=C3F

DOS

IR

Vibrations