Geometry & MOs

Info

ID:	167156
PubChem CID:	74789104
Reduced:	BClFNO2C13H16 (1)
Stoich.:	ABCDE2F13G16 (1)
Weight, g/mol:	279.144202
ΔH_f, kcal/mol:	-178.86
Dipole, Da:	6.3
IP(EA), eV:	-9.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(N=C(C=C2)F)Cl

DOS

IR

Vibrations