Geometry & MOs

Info

ID:	341278
PubChem CID:	127263825
Reduced:	NOCl2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	225.080853
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	4.11
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxycarbonyl-5-methoxypyridin-4-yl)boronic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)C2=COC=N2.Cl

DOS

IR

Vibrations