Geometry & MOs

Info

ID:	386972
PubChem CID:	134983547
Reduced:	FeO4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	100.97
Dipole, Da:	1.68
IP(EA), eV:	-7.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4E,6E)-3-methyl-1-phenylocta-4,6-dien-1-one

Drug info:

PubChemData

Smile

C/C=C/C=C/[C@@H](C)CC(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations