Geometry & MOs

Info

ID:	381602
PubChem CID:	134972390
Reduced:	OH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	137.61
Dipole, Da:	1.49
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@]2(C1=C3C=CC=C[C@@H]3OO2)C4=CC=CC=C4

DOS

IR

Vibrations