Geometry & MOs

Info

ID:	226915
PubChem CID:	87558924
Reduced:	FO2N4C32H37 (1)
Stoich.:	AB2C4D32E37 (1)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	1.35
IP(EA), eV:	-8.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C(=CC=C2)F)C(=O)/C=C/C3=C(C=CC(=C3)C4=CC=CC=C4OC)N5CCN(CC5)C

DOS

IR

Vibrations