Geometry & MOs

Info

ID:	221114
PubChem CID:	85256865
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	280.17735
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	3.76
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-amino-7-hexyl-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

C1C(CC(C(C1O)CO)O)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations