Geometry & MOs

Info

ID:

310033

PubChem CID:

126573011

Reduced:

O3N4C37H46 (1)

Stoich.:

A3B4C37D46 (1)

Weight, g/mol:

426.15181

ΔHf, kcal/mol:

-78.12

Dipole, Da:

7.75

IP(EA), eV:

 -8.57(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-bromo-4-(3,3-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)CC5=CC=C(C=C5)C#N)C=C3

DOS

IR

Vibrations