Geometry & MOs

Info

ID:	276975
PubChem CID:	103826086
Reduced:	FON3C10H16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	223.086938
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	3.78
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COCCCCCNC1=NC=C(C=N1)F

DOS

IR

Vibrations