Geometry & MOs

Info

ID:	167161
PubChem CID:	74789260
Reduced:	BN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	249.133637
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	3.35
IP(EA), eV:	-8.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC3=C(CCCN3)N=C2

DOS

IR

Vibrations