Geometry & MOs

Info

ID:	260900
PubChem CID:	103208881
Reduced:	O2F3N3C12H14 (1)
Stoich.:	A2B3C3D12E14 (1)
Weight, g/mol:	274.087747
ΔH_f, kcal/mol:	-195.87
Dipole, Da:	4.08
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=C1)NC(=N2)CCOCC(F)(F)F

DOS

IR

Vibrations