Geometry & MOs

Info

ID:	1077
PubChem CID:	3758
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	3.06
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations