Geometry & MOs

Info

ID:	172258
PubChem CID:	75486552
Reduced:	BO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	347.134031
ΔH_f, kcal/mol:	-248.71
Dipole, Da:	8.46
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-4-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-2-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations