Geometry & MOs

Info

ID:	408638
PubChem CID:	135081406
Reduced:	BCl2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	222.251881
ΔH_f, kcal/mol:	86.08
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.202798
Charge, e:	0

Chem-info

IUPAC name:

di(butan-2-yl)-[(E)-4-methylhex-2-enyl]borane

Drug info:

PubChemData

Smile

[B-](CC=C(Cl)Cl)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations