Geometry & MOs

Info

ID:	28847
PubChem CID:	830026
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	6.17
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(dimethylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CCNC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations