Geometry & MOs

Info

ID:	443273
PubChem CID:	135258353
Reduced:	O3C5H7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-255.29
Dipole, Da:	3.23
IP(EA), eV:	-9.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(6-aminopurin-9-yl)-5-prop-2-ynyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H](OC2[C@@H]1OC(O2)(C)C)C=O

DOS

IR

Vibrations