Geometry & MOs

Info

ID:

310560

PubChem CID:

126582162

Reduced:

FN3O3C39H52 (1)

Stoich.:

AB3C3D39E52 (1)

Weight, g/mol:

506.258086

ΔHf, kcal/mol:

-172.73

Dipole, Da:

7.41

IP(EA), eV:

 -8.3(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(methoxymethyl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4C(C)C)C)[C@@H](C(=O)O)OC(C)(C)C)N5CCC(CC5)(C)C

DOS

IR

Vibrations