Geometry & MOs

Info

ID:	19442
PubChem CID:	563998
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	3.8
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CCO

DOS

IR

Vibrations