Geometry & MOs

Info

ID:	413862
PubChem CID:	135086813
Reduced:	LiMgCl2O2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	5.41
IP(EA), eV:	-8.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-7-oxa-8-azatricyclo[6.4.0.01,5]dodecane

Drug info:

PubChemData

Smile

[Li+].CCOC(=O)C1=CC=[C-]C=C1.[Mg+2].[Cl-].[Cl-]

DOS

IR

Vibrations