Geometry & MOs

Info

ID:	21687
PubChem CID:	589532
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	4.36
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-hexoxyphenyl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C=CC=CC(=O)OCC

DOS

IR

Vibrations