Geometry & MOs

Info

ID:	445759
PubChem CID:	135269358
Reduced:	F2O2N5C23H23 (1)
Stoich.:	A2B2C5D23E23 (1)
Weight, g/mol:	432.10083
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	4.37
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3,5-dimethyl-1-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]-4,7-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)CCCN)N(C(=N2)C3=CC=C(C=C3)C(F)F)CC4=CC=CC=C4

DOS

IR

Vibrations