Geometry & MOs

Info

ID:	406699
PubChem CID:	135078384
Reduced:	BKO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	231.119249
ΔH_f, kcal/mol:	-202.82
Dipole, Da:	9.58
IP(EA), eV:	-8.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-methyl-1-[(E)-2-phenylethenyl]-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)/C=C/C3=CC=CC=C3.[K+]

DOS

IR

Vibrations