Geometry & MOs

Info

ID:	21845
PubChem CID:	592179
Reduced:	IO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	321.97021
ΔH_f, kcal/mol:	-144.52
Dipole, Da:	5.86
IP(EA), eV:	-10.02(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C12CC3CC1C(=O)OC2C3I

DOS

IR

Vibrations