Geometry & MOs

Info

ID:	1590
PubChem CID:	4740
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	4.19
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

DOS

IR

Vibrations