Geometry & MOs

Info

ID:	30449
PubChem CID:	841349
Reduced:	FO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	330.09642
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	2.91
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1,3-benzodioxol-5-yloxy)-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)C=NNC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations