Geometry & MOs

Info

ID:	133839
PubChem CID:	51599496
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	329.283098
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	7.0
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(E)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-1-ium-4-yl)piperazin-1-ium

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=C(C4=CC=CC=C4N=C3C)C

DOS

IR

Vibrations