Geometry & MOs

Info

ID:	445618
PubChem CID:	135268593
Reduced:	FO4N6H25C26 (1)
Stoich.:	AB4C6D25E26 (1)
Weight, g/mol:	473.12661
ΔH_f, kcal/mol:	-73.51
Dipole, Da:	6.47
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-amino-2-chlorophenoxy)-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)F)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)C(C5=C(N=NC=C5)OC)C(=O)N

DOS

IR

Vibrations