Geometry & MOs

Info

ID:	172268
PubChem CID:	75487270
Reduced:	BFNO2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	293.196237
ΔH_f, kcal/mol:	-182.42
Dipole, Da:	3.11
IP(EA), eV:	-9.0(0.05)
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]propan-2-amine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CNC3CC3)F

DOS

IR

Vibrations