Geometry & MOs

Info

ID:	60221
PubChem CID:	26675928
Reduced:	F2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	482.227768
ΔH_f, kcal/mol:	-252.9
Dipole, Da:	7.27
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibutyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=C(C=C2)F)F)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations