Geometry & MOs

Info

ID:	16960
PubChem CID:	481082
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	4.09
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R)-3-(aminomethyl)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol

Drug info:

PubChemData

Smile

C1=C([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CN

DOS

IR

Vibrations