Geometry & MOs

Info

ID:	406863
PubChem CID:	135078807
Reduced:	SiO2C21H24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	212.173631
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	2.67
IP(EA), eV:	-8.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-methylphenyl)-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

C[Si](C)([C@H]1C=CCC[C@H]1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations