Geometry & MOs

Info

ID:	121
PubChem CID:	2153
Reduced:	O2N4C7H8 (1)
Stoich.:	A2B4C7D8 (1)
Weight, g/mol:	180.064726
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	3.11
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC=N2

DOS

IR

Vibrations