Geometry & MOs

Info

ID:	437925
PubChem CID:	135227320
Reduced:	FO3N5C13H16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	299.139368
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	3.6
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-aminopurin-9-yl)-3-[(1S)-1-fluoroethyl]pentane-1,2,5-triol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)CC3=C(C(C([C@H]3F)CCO)O)O)N

DOS

IR

Vibrations