Geometry & MOs

Info

ID:	1719
PubChem CID:	4938
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	6.66
IP(EA), eV:	-9.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

DOS

IR

Vibrations