Geometry & MOs

Info

ID:	383696
PubChem CID:	134975567
Reduced:	OLi2C3H4 (1)
Stoich.:	AB2C3D4 (1)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	4.62
IP(EA), eV:	-7.33(2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6S,7S)-6-hydroxytricyclo[3.2.1.02,7]octan-3-one

Drug info:

PubChemData

Smile

[Li+].[Li+].[CH-]=CC[O-]

DOS

IR

Vibrations