Geometry & MOs

Info

ID:

215450

PubChem CID:

85084749

Reduced:

O3C14H15 (4)

Stoich.:

A3B14C15 (4)

Weight, g/mol:

764.773395

ΔHf, kcal/mol:

-360.45

Dipole, Da:

3.34

IP(EA), eV:

 -9.22(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

dimethyl-(3-nonadec-9-enoxy-2-octadec-9-enoxypropyl)-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(C(C1OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)O

DOS

IR

Vibrations