Geometry & MOs

Info

ID:	400714
PubChem CID:	135048844
Reduced:	BIO2C8H16 (1)
Stoich.:	ABC2D8E16 (1)
Weight, g/mol:	466.354213
ΔH_f, kcal/mol:	-178.8
Dipole, Da:	3.3
IP(EA), eV:	-9.41(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,4R,5S)-1,4-diethyl-1,4-bis(4-methylpyridin-1-ium-1-yl)-5-trimethylsilyl-1,4-diboranuidacyclohex-2-yl]-trimethylsilane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@@H](C)I

DOS

IR

Vibrations