Geometry & MOs

Info

ID:	177108
PubChem CID:	76135486
Reduced:	Br2O2N5C21H21 (1)
Stoich.:	A2B2C5D21E21 (1)
Weight, g/mol:	193.108936
ΔH_f, kcal/mol:	32.85
Dipole, Da:	8.8
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,8-diethyl-5,9-dihydropurin-3-ium-6-one

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1CCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)N4N=C(N=N4)Br

DOS

IR

Vibrations