Geometry & MOs

Info

ID:	227691
PubChem CID:	87562239
Reduced:	ON5H17C23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	416.29266
ΔH_f, kcal/mol:	109.04
Dipole, Da:	7.64
IP(EA), eV:	-8.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-2-ethoxyacetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1/C=C\3/C4=C(C=CC(=C4)N)NC3=O)NN=C2/C=C/C5=CC=NC=C5

DOS

IR

Vibrations