Geometry & MOs

Info

ID:

389289

PubChem CID:

134992027

Reduced:

TiN3O7C33H45 (1)

Stoich.:

AB3C7D33E45 (1)

Weight, g/mol:

880.467604

ΔHf, kcal/mol:

-207.51

Dipole, Da:

6.33

IP(EA), eV:

 -6.53(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(R)-[(2S,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-[(2S,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline

Drug info:

PubChemData

Smile

CCO.CCO.CCO.CC(C)[C@@H](C(=O)N[C@@H](C1=CNC2=CC=CC=C21)C(=O)OC)N/C=C/3\C(=O)C=CC4=CC=CC=C43.[Ti]

DOS

IR

Vibrations