Geometry & MOs

Info

ID:	268003
PubChem CID:	103595078
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	229.044046
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	8.46
IP(EA), eV:	-9.03(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloropyrimidin-2-yl)-4-methylthiomorpholine

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)C2CSCCN2C)C

DOS

IR

Vibrations