Geometry & MOs

Info

ID:	51439
PubChem CID:	12014109
Reduced:	OH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	450.183109
ΔH_f, kcal/mol:	20.36
Dipole, Da:	0.57
IP(EA), eV:	-8.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E,5E)-6-(furan-2-yl)hexa-1,3,5-trienyl]-5-[1-[5-[(1E,3E,5E)-6-(furan-2-yl)hexa-1,3,5-trienyl]furan-2-yl]ethyl]furan

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=C/C=C/C=C/C2=CC=CO2

DOS

IR

Vibrations