Geometry & MOs

Info

ID:	83404
PubChem CID:	49857553
Reduced:	BClFO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	284.115066
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-(4-fluorophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C2=CC=C(C=C2)F)/Cl

DOS

IR

Vibrations