Geometry & MOs

Info

ID:	371739
PubChem CID:	131271432
Reduced:	OH4N4C7 (1)
Stoich.:	AB4C4D7 (1)
Weight, g/mol:	170.032757
ΔH_f, kcal/mol:	66.79
Dipole, Da:	6.16
IP(EA), eV:	-9.7(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-oxido-3-oxo-2H-pyrazin-1-ium-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1OC(=N2)N)C#N

DOS

IR

Vibrations