Geometry & MOs

Info

ID:	24547
PubChem CID:	610826
Reduced:	N2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	4.74
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,4-dihydro-2H-pyran-2-ylmethoxy)-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(N=C1OCC3CCC=CO3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations