Geometry & MOs

Info

ID:	386268
PubChem CID:	134981239
Reduced:	RuO4F6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	0.51
IP(EA), eV:	-6.91(-3.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2E,4E,10E)-dodeca-2,4,10-trien-6,8-diynylidene]furan-2-one

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(#CC(F)(F)F)C(F)(F)F.[Ru]

DOS

IR

Vibrations