Geometry & MOs

Info

ID:	327952
PubChem CID:	126691493
Reduced:	IO2C3H5 (1)
Stoich.:	AB2C3D5 (1)
Weight, g/mol:	310.112443
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	0.54
IP(EA), eV:	-9.85(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloropentacyclo[10.8.0.02,4.06,11.014,19]icosa-6(11),7,9,13,19-pentaen-18-one

Drug info:

PubChemData

Smile

C=CC(O)OI

DOS

IR

Vibrations