Geometry & MOs

Info

ID:	382603
PubChem CID:	134973864
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	563.235122
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	3.96
IP(EA), eV:	-9.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-ethoxy-2-[(2E,4E)-4-hydroxyhepta-2,4,6-trien-3-yl]oxy-3-oxo-1-phenylpropyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO)OC/C=C/COC2=CC=CC=C2CO

DOS

IR

Vibrations