Geometry & MOs

Info

ID:	182405
PubChem CID:	76886509
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	264.120898
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	9.52
IP(EA), eV:	-9.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-dimethyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylimino]-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

C1CC1N(CC2=CN=CC=C2)S(=O)(=O)C3CCC(=O)NC3

DOS

IR

Vibrations