Geometry & MOs

Info

ID:	167705
PubChem CID:	74860222
Reduced:	SO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	252.134816
ΔH_f, kcal/mol:	-144.32
Dipole, Da:	4.09
IP(EA), eV:	-9.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[hydroxy(piperidin-4-yl)methylidene]-1,3-dimethylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC=CCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

DOS

IR

Vibrations