Geometry & MOs

Info

ID:	172255
PubChem CID:	75486085
Reduced:	BN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	279.144202
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	4.09
IP(EA), eV:	-9.6(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Drug info:

PubChemData

Smile

B(C1=CC(=CN=C1)C2=NN=C(O2)C3=CC=CC=C3)(O)O

DOS

IR

Vibrations