Geometry & MOs

Info

ID:	3649
PubChem CID:	9912
Reduced:	N6O6C19H26 (1)
Stoich.:	A6B6C19D26 (1)
Weight, g/mol:	434.191383
ΔH_f, kcal/mol:	-200.62
Dipole, Da:	0.83
IP(EA), eV:	-9.03(-1.05)
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;pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations