Geometry & MOs

Info

ID:	26580
PubChem CID:	653149
Reduced:	NO3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-166.07
Dipole, Da:	7.99
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3CC3)C4=CC5=CC(=C(C=C5NC4=O)OC)OC)OC

DOS

IR

Vibrations