Geometry & MOs

Info

ID:

445837

PubChem CID:

135269726

Reduced:

NOC7H9 (3)

Stoich.:

ABC7D9 (3)

Weight, g/mol:

793.487731

ΔHf, kcal/mol:

-54.9

Dipole, Da:

6.32

IP(EA), eV:

 -8.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(4-methylphenoxy)-3-(2-methylpropanoyloxy)propan-2-yl] 1,5-dimethyl-3-[[2-(2-methylpropanoyloxy)-1-(4-nonylphenoxy)ethoxy]diazenyl]-6-azabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC=C2)C)CC3=CC(=C(C=C3)C(=O)NO)O

DOS

IR

Vibrations