Geometry & MOs

Info

ID:	22038
PubChem CID:	595886
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	289.98038
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	1.73
IP(EA), eV:	-10.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodoadamantane-2,6-dione

Drug info:

PubChemData

Smile

C1C2CC3C(C(C2=O)CC1C3=O)I

DOS

IR

Vibrations