Geometry & MOs

Info

ID:	15494
PubChem CID:	442629
Reduced:	NO7C12H15 (1)
Stoich.:	AB7C12D15 (1)
Weight, g/mol:	285.084852
ΔH_f, kcal/mol:	-275.8
Dipole, Da:	2.28
IP(EA), eV:	-10.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O

DOS

IR

Vibrations