Geometry & MOs

Info

ID:	341333
PubChem CID:	127264026
Reduced:	ClN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	279.144202
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	4.51
IP(EA), eV:	-8.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=CN2)[C@H](C(F)(F)F)N

DOS

IR

Vibrations