Geometry & MOs

Info

ID:	328580
PubChem CID:	126725674
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	284.113412
ΔH_f, kcal/mol:	-46.23
Dipole, Da:	4.29
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1=CC=CC2=C1C=CC=N2

DOS

IR

Vibrations