Geometry & MOs

Info

ID:	400651
PubChem CID:	135048638
Reduced:	BOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	298.246796
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	2.77
IP(EA), eV:	-8.97(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(Z)-6-cyclohexylhex-2-en-5-yn-2-yl]oxy-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)O/C(=C\CC#CC3=CC=CC=C3)/C

DOS

IR

Vibrations