Geometry & MOs

Info

ID:	14364
PubChem CID:	410192
Reduced:	ClN2O4C16H25 (1)
Stoich.:	AB2C4D16E25 (1)
Weight, g/mol:	344.150285
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	31.83
IP(EA), eV:	-5.25(-3.28)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-methyl-1-[4-(4-methylpyridin-1-ium-1-yl)butyl]pyridin-1-ium;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CCCC[N+]2=CC=C(C=C2)C.OCl(=O)(O)O

DOS

IR

Vibrations