Geometry & MOs

Info

ID:

437222

PubChem CID:

135216087

Reduced:

FO3N8C29H37 (1)

Stoich.:

AB3C8D29E37 (1)

Weight, g/mol:

477.24277

ΔHf, kcal/mol:

-60.97

Dipole, Da:

3.21

IP(EA), eV:

 -8.76(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(2-fluorophenyl)ethoxy]pyridin-2-yl]-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C/C=C(/C1=CC(=C(C=C1)CNC(=O)C2=NC(=C(O2)C)C)F)\C3=C(NN=C3N=C)N[C@@H]4CC[C@@H](N(C4)C(=O)N(C)C)C

DOS

IR

Vibrations