Geometry & MOs

Info

ID:	7666
PubChem CID:	73683
Reduced:	ClO5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	217.998201
ΔH_f, kcal/mol:	-197.18
Dipole, Da:	3.2
IP(EA), eV:	-11.13(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid

Drug info:

PubChemData

Smile

C12C(C3C(C(C1O3)OC2=O)Cl)C(=O)O

DOS

IR

Vibrations