Geometry & MOs

Info

ID:

388669

PubChem CID:

134989834

Reduced:

ClON2H8C9 (1)

Stoich.:

ABC2D8E9 (1)

Weight, g/mol:

175.005162

ΔHf, kcal/mol:

16.48

Dipole, Da:

6.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.786542

Charge, e:

 0

Chem-info

IUPAC name:

3-methylsulfonyl-1-oxido-1,2,4-triazin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC(=O)C2=C(N1)C=CC=C2Cl

DOS

IR

Vibrations