Geometry & MOs

Info

ID:	169070
PubChem CID:	75060086
Reduced:	BKNOF3C13H18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	272.143354
ΔH_f, kcal/mol:	-387.22
Dipole, Da:	7.1
IP(EA), eV:	-8.55(0.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[3-methyl-1-[(2-phenylacetyl)amino]butyl]boranuide

Drug info:

PubChemData

Smile

[B-](C(CC(C)C)NC(=O)CC1=CC=CC=C1)(F)(F)F.[K+]

DOS

IR

Vibrations