Geometry & MOs

Info

ID:	393611
PubChem CID:	135021202
Reduced:	OC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-144.96
Dipole, Da:	2.53
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,11R)-5-methoxy-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@@H]2O[C@H]1C3=CC=CC=C3O2

DOS

IR

Vibrations