Geometry & MOs

Info

ID:	16983
PubChem CID:	481599
Reduced:	N4O5C10H12 (1)
Stoich.:	A4B5C10D12 (1)
Weight, g/mol:	268.080769
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	2.67
IP(EA), eV:	-9.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-4-(6-methoxypurin-9-yl)oxy-1,3-dioxolan-2-yl]methanol

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N=CN2O[C@@H]3CO[C@H](O3)CO

DOS

IR

Vibrations