Geometry & MOs

Info

ID:	3650
PubChem CID:	9913
Reduced:	O4N5C13H21 (1)
Stoich.:	A4B5C13D21 (1)
Weight, g/mol:	311.159354
ΔH_f, kcal/mol:	-145.49
Dipole, Da:	3.4
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O

DOS

IR

Vibrations