Geometry & MOs

Info

ID:	48633
PubChem CID:	11110178
Reduced:	ClNF3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	326.278096
ΔH_f, kcal/mol:	-108.33
Dipole, Da:	3.73
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-cyclohex-2-en-1-yl]oxy-bis[(1S,2R,3S,6S)-3-methyl-2-bicyclo[4.1.0]heptanyl]borane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC/C(=C(/C(F)(F)F)\Cl)/C2=CC=CC=C2

DOS

IR

Vibrations