Geometry & MOs

Info

ID:	400604
PubChem CID:	135048477
Reduced:	BC14H25 (1)
Stoich.:	AB14C25 (1)
Weight, g/mol:	454.398211
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	0.53
IP(EA), eV:	-9.51(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dihexyl-[(E)-1-(2-methyl-1,3-dioxolan-2-yl)-1-phenyloct-1-en-2-yl]borane

Drug info:

PubChemData

Smile

B1([C@@H]2CCCC[C@H]1CC2)[C@@H]3CCC[C@H]3C

DOS

IR

Vibrations