Geometry & MOs

Info

ID:	10341
PubChem CID:	100675
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	6.23
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-aminophenyl)-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=CC=C(C=C3)N

DOS

IR

Vibrations