Geometry & MOs

Info

ID:	404396
PubChem CID:	135066157
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	2.66
IP(EA), eV:	-8.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4,5-dimethylfuran-2-yl)-1,3,9-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC2=C1N(C(=C2)/C=C/C(=O)OC(C)(C)C)C3=NC=CC=N3

DOS

IR

Vibrations