Geometry & MOs

Info

ID:	321399
PubChem CID:	126665954
Reduced:	ClON5F7H7C13 (1)
Stoich.:	ABC5D7E7F13 (1)
Weight, g/mol:	345.135638
ΔH_f, kcal/mol:	-312.39
Dipole, Da:	2.09
IP(EA), eV:	-9.54(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-7H-purin-6-one;hydrochloride

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=O)N(C(=N2)N)C(CC3=C(C(=C(C(=C3F)F)F)F)F)(F)F.Cl

DOS

IR

Vibrations