Geometry & MOs

Info

ID:	400814
PubChem CID:	135049162
Reduced:	BSiO2C11H21 (2)
Stoich.:	ABC2D11E21 (2)
Weight, g/mol:	378.309396
ΔH_f, kcal/mol:	-387.17
Dipole, Da:	3.75
IP(EA), eV:	-8.76(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1S,5S)-6,6-dimethyl-2-(2-phenylmethoxyethyl)-3-bicyclo[3.1.1]heptanyl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(\B2OC(C(O2)(C)C)(C)C)/[Si](C)(C)C)/C#C[Si](C)(C)C

DOS

IR

Vibrations