Geometry & MOs

Info

ID:	372473
PubChem CID:	131298226
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	417.279887
ΔH_f, kcal/mol:	-137.83
Dipole, Da:	2.14
IP(EA), eV:	-10.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)Br)OC(F)F)CC#N

DOS

IR

Vibrations