Geometry & MOs

Info

ID:	29643
PubChem CID:	836031
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	3.33
IP(EA), eV:	-8.5(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(diethylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCCCC2

DOS

IR

Vibrations