Geometry & MOs

Info

ID:

439488

PubChem CID:

135229262

Reduced:

NH8C9 (2)

Stoich.:

AB8C9 (2)

Weight, g/mol:

1459.34815

ΔHf, kcal/mol:

79.98

Dipole, Da:

5.17

IP(EA), eV:

 -9.41(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-O-[4-[4-(2-hexyldecanoyloxy)butyl-(2-hydroxyethyl)amino]butyl] 1-O-[6-[6-(2-hexyldecanoyloxy)hexyl-(5-hydroxypentyl)amino]hexyl] 4-butyl-2,11-dioctyldodecanedioate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC2=C(C=C(C(=C2)C)C#N)C#N

DOS

IR

Vibrations