Geometry & MOs

Info

ID:	386162
PubChem CID:	134980941
Reduced:	IrO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	136.088815
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	33.78
IP(EA), eV:	-9.36(-4.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-methyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

C[C-]1C(=C(C(=C1C)C)C)C.CC(=O)O.O.[Ir]

DOS

IR

Vibrations