Geometry & MOs

Info

ID:	182554
PubChem CID:	76906002
Reduced:	ClSN3O3H10C12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	291.145715
ΔH_f, kcal/mol:	-52.22
Dipole, Da:	7.36
IP(EA), eV:	-9.43(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[(2-methoxypyridin-4-yl)methylamino]methyl]-1,3-dimethyl-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=NC=C(S2)C=CC(=O)O)Cl

DOS

IR

Vibrations