Geometry & MOs

Info

ID:	268004
PubChem CID:	103595115
Reduced:	ClSN3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	257.075346
ΔH_f, kcal/mol:	38.69
Dipole, Da:	1.6
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-5,6-dimethylpyrimidin-2-yl)-4-methylthiomorpholine

Drug info:

PubChemData

Smile

CN1CCSCC1C2=NC=CC(=N2)Cl

DOS

IR

Vibrations