Geometry & MOs

Info

ID:

436629

PubChem CID:

135206319

Reduced:

FN3O4C31H46 (1)

Stoich.:

AB3C4D31E46 (1)

Weight, g/mol:

530.314458

ΔHf, kcal/mol:

-231.9

Dipole, Da:

2.23

IP(EA), eV:

 -8.6(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[4-(2-phenylethoxy)phenyl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1C(C(=O)OC(C)C)OC(C)(C)C)N2CCC(CC2)(C)C)C3=C(N=C(C=C3)OCC(C)C)F

DOS

IR

Vibrations