Geometry & MOs

Info

ID:	385244
PubChem CID:	134978605
Reduced:	KNBe2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	81.58
Dipole, Da:	1.68
IP(EA), eV:	-6.05(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,8R,9R)-tricyclo[6.2.1.01,5]undecane-8,9-diol

Drug info:

PubChemData

Smile

[Be+2].[Be+2].C[CH2-].C[CH2-].C[CH2-].C[CH2-].[C-]#N.[K+]

DOS

IR

Vibrations