Geometry & MOs

Info

ID:	406698
PubChem CID:	135078383
Reduced:	BO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	270.082956
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.823628
Charge, e:	0

Chem-info

IUPAC name:

potassium;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)C3=CC=CC=C3OC

DOS

IR

Vibrations