Geometry & MOs

Info

ID:	400567
PubChem CID:	135048380
Reduced:	BC27H57 (1)
Stoich.:	AB27C57 (1)
Weight, g/mol:	650.56567
ΔH_f, kcal/mol:	-145.93
Dipole, Da:	0.24
IP(EA), eV:	-9.76(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-bis(11-methoxy-2-methyl-11-oxoundecyl)boranyl-10-methylundecanoate

Drug info:

PubChemData

Smile

B(CC(C)CCCCCC)(CC(C)CCCCCC)CC(C)CCCCCC

DOS

IR

Vibrations