Geometry & MOs

Info

ID:

299976

PubChem CID:

118043631

Reduced:

N2O2C7H11 (1)

Stoich.:

A2B2C7D11 (1)

Weight, g/mol:

141.066403

ΔHf, kcal/mol:

-46.5

Dipole, Da:

5.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933770

Charge, e:

 1

Chem-info

IUPAC name:

1-hydroxy-3,5-dimethylpyrazin-4-ium-2-one

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)C(=[NH+]1)C)O)C

DOS

IR

Vibrations