Geometry & MOs

Info

ID:	400524
PubChem CID:	135048196
Reduced:	BBrC14H24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	650.56567
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	2.67
IP(EA), eV:	-9.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[bis(11-acetyloxyundecyl)boranyl]undecyl acetate

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C3(CCCCC3)Br

DOS

IR

Vibrations