Geometry & MOs

Info

ID:	169716
PubChem CID:	75141236
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	426.186732
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	4.64
IP(EA), eV:	-9.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-7-[(2-fluorophenyl)methyl]-1-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C=NC3C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)C(C)C

DOS

IR

Vibrations