Geometry & MOs

Info

ID:	341239
PubChem CID:	127263674
Reduced:	ClF3H4N4C7 (1)
Stoich.:	AB3C4D4E7 (1)
Weight, g/mol:	269.968686
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	5.01
IP(EA), eV:	-10.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-7-(2,2,2-trifluoroethyl)purine

Drug info:

PubChemData

Smile

C1=NC2=C(C(=N1)Cl)N(C=N2)CC(F)(F)F

DOS

IR

Vibrations