Geometry & MOs

Info

ID:	141825
PubChem CID:	52934108
Reduced:	SF3N4O5H17C18 (1)
Stoich.:	AB3C4D5E17F18 (1)
Weight, g/mol:	627.442673
ΔH_f, kcal/mol:	-254.03
Dipole, Da:	4.97
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

9-[9-(1-methylpiperidin-1-ium-1-yl)nonyl]-3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)OC(F)(F)F)NC2=NC=NC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations