Geometry & MOs

Info

ID:

315257

PubChem CID:

126625286

Reduced:

F3N6C25H37 (1)

Stoich.:

A3B6C25D37 (1)

Weight, g/mol:

704.309766

ΔHf, kcal/mol:

-109.71

Dipole, Da:

5.16

IP(EA), eV:

 -9.1(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-5-[3-[(1R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]phenyl]-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-hydroxy-2-(3-hydroxyphenyl)-2-phenylacetate

Drug info:

PubChemData

Smile

CCC1=CC(=NN1CCC(C)C2=CC(=NN2C(C)CCC(C)C3=CC(=NN3C)C(F)(F)F)C)C

DOS

IR

Vibrations