Geometry & MOs

Info

ID:	382045
PubChem CID:	134972952
Reduced:	IO3N6C15H19 (1)
Stoich.:	AB3C6D15E19 (1)
Weight, g/mol:	302.101505
ΔH_f, kcal/mol:	9.11
Dipole, Da:	2.19
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-3-phenoxypropyl)-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

C#CCN(CCI)C[C@@H]1C(C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations