Geometry & MOs

Info

ID:

400596

PubChem CID:

135048438

Reduced:

BC23H32 (1)

Stoich.:

AB23C32 (1)

Weight, g/mol:

490.492111

ΔHf, kcal/mol:

40.55

Dipole, Da:

0.44

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754954

Charge, e:

0

Chem-info

IUPAC name:

dihexyl-[(E)-8-(2-propyl-1,3-dioxolan-2-yl)tetradec-7-en-7-yl]borane

Drug info:

PubChemData

Smile

[B-](C#CC1=CC=CC=C1)(C2CCCC2)(C3CCCC3)C4CCCC4

DOS

IR

Vibrations