Geometry & MOs

Info

ID:	10404
PubChem CID:	101446
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	3.83
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-prop-2-enylpurine-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations