Geometry & MOs

Info

ID:	227226
PubChem CID:	87560723
Reduced:	ZrF4O4C14H28 (1)
Stoich.:	AB4C4D14E28 (1)
Weight, g/mol:	268.103031
ΔH_f, kcal/mol:	-565.91
Dipole, Da:	6.23
IP(EA), eV:	-8.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-deuterio-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCO.CCO.CCO.CC1=CC=C(C=C1)CO.F[Zr](F)(F)F

DOS

IR

Vibrations