Geometry & MOs

Info

ID:	172261
PubChem CID:	75486649
Reduced:	BClNF3O3C17H18 (1)
Stoich.:	ABCD3E3F17G18 (1)
Weight, g/mol:	363.104481
ΔH_f, kcal/mol:	-347.93
Dipole, Da:	2.57
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-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=C(NC3=C(C2=O)C=CC(=C3C)Cl)C(F)(F)F

DOS

IR

Vibrations