Geometry & MOs

Info

ID:	391061
PubChem CID:	135002568
Reduced:	INO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	3.55
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methoxy-3,5-dimethylphenyl)-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C=C1/C=C/C2=CC=CC=C2)I

DOS

IR

Vibrations