Geometry & MOs

Info

ID:	400154
PubChem CID:	135046017
Reduced:	BCuLiNC3F3H3 (1)
Stoich.:	ABCDE3F3G3 (1)
Weight, g/mol:	330.11944
ΔH_f, kcal/mol:	-180.79
Dipole, Da:	12.97
IP(EA), eV:	-6.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3S,5Z)-1-bromoundeca-1,5-dien-3-yl]oxyoxane

Drug info:

PubChemData

Smile

[Li+].B(F)(F)F.C=[CH-].[C-]#N.[Cu+]

DOS

IR

Vibrations