Geometry & MOs

Info

ID:	150069
PubChem CID:	53789755
Reduced:	FH7C10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	270.102471
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	3.95
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-9-(2-hydroxyethylsulfanylmethyl)-1,7-dimethylpurin-9-ium-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(F)(F)F)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations