Geometry & MOs

Info

ID:	410035
PubChem CID:	135082824
Reduced:	ClFNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	230.220581
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	4.42
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2Z)-cyclooct-2-en-1-yl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CCOC1=CCN(CC1)C2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations