Geometry & MOs

Info

ID:	397979
PubChem CID:	135031256
Reduced:	NSO2F3H24C25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	317.176622
ΔH_f, kcal/mol:	-182.24
Dipole, Da:	7.93
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[5-(1H-indol-3-yl)piperazin-1-ium-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2CC(F)(F)F)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations