Geometry & MOs

Info

ID:	386525
PubChem CID:	134982036
Reduced:	FeO4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	64.84
Dipole, Da:	2.62
IP(EA), eV:	-6.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4E,6E)-3-ethyl-1-phenylocta-4,6-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations