Geometry & MOs

Info

ID:	400518
PubChem CID:	135048181
Reduced:	BC15H30 (1)
Stoich.:	AB15C30 (1)
Weight, g/mol:	464.20156
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	0.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754520
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-2-(trifluoromethylsulfonyloxy)cyclohept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

[B-](CCC)(CCC)(CCC)C#CCCCC

DOS

IR

Vibrations