Geometry & MOs

Info

ID:	400492
PubChem CID:	135048118
Reduced:	BLiC20H38 (1)
Stoich.:	ABC20D38 (1)
Weight, g/mol:	500.510461
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	6.82
IP(EA), eV:	-8.45(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;[(2S)-butan-2-yl]-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-undec-1-ynylboranuide

Drug info:

PubChemData

Smile

[Li+].[B-](CC(C)C)(CC(C)C)(CC(C)C)C#CC1CCCCC1

DOS

IR

Vibrations