Geometry & MOs

Info

ID:	172271
PubChem CID:	75487273
Reduced:	BFNO2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	279.180587
ΔH_f, kcal/mol:	-199.8
Dipole, Da:	2.99
IP(EA), eV:	-9.0(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CNC)F

DOS

IR

Vibrations