Geometry & MOs

Info

ID:	172259
PubChem CID:	75486632
Reduced:	BFNO5C17H19 (1)
Stoich.:	ABCD5E17F19 (1)
Weight, g/mol:	365.100144
ΔH_f, kcal/mol:	-306.11
Dipole, Da:	11.57
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)F)C(=O)C=C(N3)C(=O)OC

DOS

IR

Vibrations