Geometry & MOs

Info

ID:	403637
PubChem CID:	135061085
Reduced:	BO4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	376.182145
ΔH_f, kcal/mol:	-155.94
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799257
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[2-phenyl-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

[B-]12(C(=C(C(=O)O1)C3=CC=CC=C3)C4=CC=CC=C4)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations