Geometry & MOs

Info

ID:	406697
PubChem CID:	135078382
Reduced:	BKO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	235.114164
ΔH_f, kcal/mol:	-267.05
Dipole, Da:	8.8
IP(EA), eV:	-7.95(0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)C3=CC=CC=C3OC.[K+]

DOS

IR

Vibrations