Geometry & MOs

Info

ID:	9300
PubChem CID:	87802
Reduced:	C5H7N7 (1)
Stoich.:	A5B7C7 (1)
Weight, g/mol:	165.076293
ΔH_f, kcal/mol:	73.8
Dipole, Da:	5.4
IP(EA), eV:	-8.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7H-purine-2,6,8-triamine

Drug info:

PubChemData

Smile

C12=C(N=C(N=C1N=C(N2)N)N)N

DOS

IR

Vibrations