Geometry & MOs

Info

ID:	414196
PubChem CID:	135087152
Reduced:	BO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	380.213445
ΔH_f, kcal/mol:	-201.74
Dipole, Da:	3.02
IP(EA), eV:	-8.36(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C2=CC=C(C=C2)OC)/C3CCCCC3

DOS

IR

Vibrations