Geometry & MOs

Info

ID:	400721
PubChem CID:	135048888
Reduced:	BBrLiOC23H41 (1)
Stoich.:	ABCDE23F41 (1)
Weight, g/mol:	423.24338
ΔH_f, kcal/mol:	-126.59
Dipole, Da:	6.99
IP(EA), eV:	-8.5(0.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(Z)-1-bromohex-1-enyl]-(2-cyclohexylethynyl)-(2,3-dimethylbutan-2-yl)-propan-2-yloxyboranuide

Drug info:

PubChemData

Smile

[Li+].[B-](C#CC1CCCCC1)(/C(=C/CCCC)/Br)(C(C)(C)C(C)C)OC(C)C

DOS

IR

Vibrations