Geometry & MOs

Info

ID:	226362
PubChem CID:	87350682
Reduced:	NC11H25 (1)
Stoich.:	AB11C25 (1)
Weight, g/mol:	539.372307
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	1.82
IP(EA), eV:	-9.08(3.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[2-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)propylamino]ethylamino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCCCCC(C)(C)C(C)(C)N

DOS

IR

Vibrations