Geometry & MOs

Info

ID:	191634
PubChem CID:	78171249
Reduced:	O2N5C8H10 (1)
Stoich.:	A2B5C8D10 (1)
Weight, g/mol:	283.108068
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	10.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946307
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentyl]-5H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=[N+](C=N2)CCC(=O)O)N

DOS

IR

Vibrations