Geometry & MOs

Info

ID:	165505
PubChem CID:	74559104
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	381.242114
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	14.0
IP(EA), eV:	-9.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CC[NH+]2CCCC(C2C1)COC(=NS(=O)(=O)C3=CC=C(C=C3)F)[O-]

DOS

IR

Vibrations