Geometry & MOs

Info

ID:	390030
PubChem CID:	134996695
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	343.054611
ΔH_f, kcal/mol:	78.41
Dipole, Da:	6.34
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-3-[(4-methylphenyl)sulfanylmethyl]-4-oxido-1,2,4-triazin-4-ium

Drug info:

PubChemData

Smile

CC(CO)NCC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations