Geometry & MOs

Info

ID:

146476

PubChem CID:

53695896

Reduced:

SN2O5H7C10 (1)

Stoich.:

AB2C5D7E10 (1)

Weight, g/mol:

151.063329

ΔHf, kcal/mol:

-109.97

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.421143

Charge, e:

 0

Chem-info

IUPAC name:

4-acetyl-5-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CC(=C2C(=C1)S(=O)(=O)O)O)[N+]#N)O

DOS

IR

Vibrations