Geometry & MOs

Info

ID:	400496
PubChem CID:	135048127
Reduced:	BC19H34 (1)
Stoich.:	AB19C34 (1)
Weight, g/mol:	302.314481
ΔH_f, kcal/mol:	-26.6
Dipole, Da:	0.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754489
Charge, e:	0

Chem-info

IUPAC name:

bis[(1S,2S)-2-methylcyclohexyl]-[(2S)-2-methylcyclohexyl]borane

Drug info:

PubChemData

Smile

[B-](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1

DOS

IR

Vibrations