Geometry & MOs

Info

ID:	249441
PubChem CID:	103089455
Reduced:	FSCl2N3O3C10H12 (1)
Stoich.:	ABC2D3E3F10G12 (1)
Weight, g/mol:	230.18167
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	4.46
IP(EA), eV:	-9.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylsulfanylbutyl)piperidin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC(/C(=N/O)/N)N(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations