Geometry & MOs

Info

ID:

443745

PubChem CID:

135259897

Reduced:

FN3O3C26H32 (1)

Stoich.:

AB3C3D26E32 (1)

Weight, g/mol:

525.33667

ΔHf, kcal/mol:

-134.22

Dipole, Da:

5.28

IP(EA), eV:

 -9.29(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3R,5S)-4-[[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC=C(C=C2)CN3CCC(C3)F)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations