Geometry & MOs

Info

ID:	361410
PubChem CID:	127303276
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	42.06
Dipole, Da:	5.13
IP(EA), eV:	-9.51(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3-dihydro-1H-inden-1-ylmethylamino)-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCN3C(=NN=C3C4CC4)C2)C

DOS

IR

Vibrations