Geometry & MOs

Info

ID:	445761
PubChem CID:	135269363
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	1.45
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-fluorophenoxy)-3-methyl-7-(3-methylbutyl)-1-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C(=C)N(C(=O)C2=C1N=C(N2CC3=CC=CC=C3)O/C(=C/C(=C)OC)/C=C)CCCCO

DOS

IR

Vibrations