Geometry & MOs

Info

ID:	276981
PubChem CID:	103826127
Reduced:	FON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	242.100146
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	3.93
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2=NC=C(C=N2)F)O

DOS

IR

Vibrations