Geometry & MOs

Info

ID:	27875
PubChem CID:	823997
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	7.67
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dimethyl-9-propyl-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1C)NC(=O)N(C2=O)C

DOS

IR

Vibrations