Geometry & MOs

Info

ID:	386642
PubChem CID:	134982421
Reduced:	O5C34H36 (1)
Stoich.:	A5B34C36 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-90.81
Dipole, Da:	5.54
IP(EA), eV:	-8.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,3E)-octa-1,3-dienyl]benzaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCC(=C)COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations