Geometry & MOs

Info

ID:	183160
PubChem CID:	76984548
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	295.122872
ΔH_f, kcal/mol:	8.73
Dipole, Da:	1.0
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=NO)C2=C1C(=CC=C2)OCCC3=CC=NC=C3

DOS

IR

Vibrations