Geometry & MOs

Info

ID:	14603
PubChem CID:	415888
Reduced:	O3N6C26H40 (1)
Stoich.:	A3B6C26D40 (1)
Weight, g/mol:	484.316189
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	3.07
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)OCCN(CC)CC

DOS

IR

Vibrations