Geometry & MOs

Info

ID:	341238
PubChem CID:	127263673
Reduced:	ClN4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	236.007658
ΔH_f, kcal/mol:	59.64
Dipole, Da:	6.47
IP(EA), eV:	-9.79(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=NC2=C1C(=NC=N2)Cl

DOS

IR

Vibrations