Geometry & MOs

Info

ID:	341334
PubChem CID:	127264027
Reduced:	BFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	279.144202
ΔH_f, kcal/mol:	-250.49
Dipole, Da:	6.66
IP(EA), eV:	-9.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CC(=O)N)F

DOS

IR

Vibrations