Geometry & MOs

Info

ID:	210952
PubChem CID:	80876262
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	279.084161
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	4.33
IP(EA), eV:	-9.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1OCC2=CC=CC=C2F)NC

DOS

IR

Vibrations