Geometry & MOs

Info

ID:	191358
PubChem CID:	78137148
Reduced:	FO3N6C13H15 (1)
Stoich.:	AB3C6D13E15 (1)
Weight, g/mol:	324.134617
ΔH_f, kcal/mol:	-72.32
Dipole, Da:	2.82
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol

Drug info:

PubChemData

Smile

C=C=CC1(C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)N)F)O)CO

DOS

IR

Vibrations