Geometry & MOs

Info

ID:	166938
PubChem CID:	74756924
Reduced:	FON3C28H32 (1)
Stoich.:	ABC3D28E32 (1)
Weight, g/mol:	465.217166
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	6.17
IP(EA), eV:	-8.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-ium-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4CNNC4C5=CC=C(C=C5)F

DOS

IR

Vibrations