Geometry & MOs

Info

ID:	9929
PubChem CID:	94991
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	1.03
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(piperidin-1-ylmethyl)-2-sulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CN=C(NC2=O)S

DOS

IR

Vibrations