Geometry & MOs

Info

ID:	555
PubChem CID:	2984
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-122.84
Dipole, Da:	2.43
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

DOS

IR

Vibrations