Geometry & MOs

Info

ID:	400876
PubChem CID:	135049313
Reduced:	BOC26H53 (1)
Stoich.:	ABC26D53 (1)
Weight, g/mol:	384.356346
ΔH_f, kcal/mol:	-187.95
Dipole, Da:	1.31
IP(EA), eV:	-9.22(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dihexyl-[(E)-1-phenyloct-1-enoxy]borane

Drug info:

PubChemData

Smile

B(CCCCCCC)(CCCCCCC)O/C(=C/CCCCCCC)/C(C)C

DOS

IR

Vibrations