Geometry & MOs

Info

ID:	172270
PubChem CID:	75487272
Reduced:	BFNO2C18H27 (1)
Stoich.:	ABCD2E18F27 (1)
Weight, g/mol:	265.164937
ΔH_f, kcal/mol:	-210.59
Dipole, Da:	1.86
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CNC3CCCC3)F

DOS

IR

Vibrations