Geometry & MOs

Info

ID:	400527
PubChem CID:	135048254
Reduced:	SiO5C32H42 (1)
Stoich.:	AB5C32D42 (1)
Weight, g/mol:	192.204931
ΔH_f, kcal/mol:	-212.48
Dipole, Da:	3.61
IP(EA), eV:	-8.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-9-[(2S)-3-methylbutan-2-yl]-9-borabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CCCCC(=O)[C@@H](COCOC1=CC=C(C=C1)OC)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations