Geometry & MOs

Info

ID:	400741
PubChem CID:	135048937
Reduced:	MgOCl2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	450.07634
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	3.86
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-bromocyclohexyl]oxy-[(1R,2R)-2-bromocyclohexyl]oxy-[(E)-hex-1-enyl]borane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[CH-]Cl.[Mg+2].[Cl-]

DOS

IR

Vibrations