Geometry & MOs

Info

ID:

432694

PubChem CID:

135172830

Reduced:

ClFN3O3C25H25 (1)

Stoich.:

ABC3D3E25F25 (1)

Weight, g/mol:

742.444469

ΔHf, kcal/mol:

-96.74

Dipole, Da:

5.32

IP(EA), eV:

 -8.93(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations