Geometry & MOs

Info

ID:	284854
PubChem CID:	104077623
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	46.71
Dipole, Da:	6.43
IP(EA), eV:	-9.75(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-(3-methylphenyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CC1C2=CC(=O)N=C(N2)C3=NC=CS3

DOS

IR

Vibrations