Geometry & MOs

Info

ID:	222239
PubChem CID:	85295505
Reduced:	FeO2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	256.182715
ΔH_f, kcal/mol:	111.63
Dipole, Da:	3.37
IP(EA), eV:	-8.12(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,7,7-trimethyl-3-phenyl-2,3,4,5,6,7a-hexahydroinden-1-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1=CC=[C-]C=C1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations