Geometry & MOs

Info

ID:	169714
PubChem CID:	75141228
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	5.46
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=NC3C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)CC5CC5

DOS

IR

Vibrations