Geometry & MOs

Info

ID:

436641

PubChem CID:

135206479

Reduced:

FO3N4C28H41 (1)

Stoich.:

AB3C4D28E41 (1)

Weight, g/mol:

565.2952

ΔHf, kcal/mol:

-178.84

Dipole, Da:

7.76

IP(EA), eV:

 -8.65(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC(=C(N=C3)NCC(C)C)F

DOS

IR

Vibrations