Geometry & MOs

Info

ID:	400719
PubChem CID:	135048882
Reduced:	BOSiC17H28 (1)
Stoich.:	ABCD17E28 (1)
Weight, g/mol:	432.27504
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.072516
Charge, e:	0

Chem-info

IUPAC name:

lithium;[(Z)-1-bromohex-1-enyl]-(2,3-dimethylbutan-2-yl)-oct-1-ynyl-propan-2-yloxyboranuide

Drug info:

PubChemData

Smile

[B-]1(C(=C([Si](O1)(C)CC)C2=CC=CC=C2)CC)(CC)CC

DOS

IR

Vibrations