Geometry & MOs

Info

ID:	46503
PubChem CID:	10524812
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-157.08
Dipole, Da:	4.28
IP(EA), eV:	-9.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-8-cyclopentyl-7-(methoxymethyl)-1-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)CCCCC(=O)OC

DOS

IR

Vibrations