Geometry & MOs

Info

ID:

400549

PubChem CID:

135048304

Reduced:

BC22H34 (1)

Stoich.:

AB22C34 (1)

Weight, g/mol:

398.335611

ΔHf, kcal/mol:

-16.67

Dipole, Da:

0.13

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.126204

Charge, e:

0

Chem-info

IUPAC name:

dibutyl-[(E)-1-phenyl-1-(2-propyl-1,3-dioxolan-2-yl)hex-1-en-2-yl]borane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations