Geometry & MOs

Info

ID:	176369
PubChem CID:	76038975
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	220.05964
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	5.11
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-diacetyl-5H-purin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C=CC(=C2)N

DOS

IR

Vibrations