Geometry & MOs

Info

ID:	179771
PubChem CID:	76529200
Reduced:	BNF2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	267.124215
ΔH_f, kcal/mol:	-216.67
Dipole, Da:	6.66
IP(EA), eV:	-9.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-3-[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=CC2=C(N=C(C=C2)F)F

DOS

IR

Vibrations