Geometry & MOs

Info

ID:	216290
PubChem CID:	85085995
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	5.69
IP(EA), eV:	-8.99(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,2-dimethylpropyl)-1,8-dimethyl-5H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2(CCC2=O)CO)OCOC

DOS

IR

Vibrations