Geometry & MOs

Info

ID:	173161
PubChem CID:	75604996
Reduced:	BrON6C14H19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	448.00449
ΔH_f, kcal/mol:	0.18
Dipole, Da:	2.14
IP(EA), eV:	-8.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;dihydrobromide

Drug info:

PubChemData

Smile

C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.Br

DOS

IR

Vibrations