Geometry & MOs

Info

ID:	3264
PubChem CID:	9413
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	5.06
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations