Geometry & MOs

Info

ID:

436646

PubChem CID:

135206530

Reduced:

O2N3C19H23 (2)

Stoich.:

A2B3C19D23 (2)

Weight, g/mol:

454.246772

ΔHf, kcal/mol:

-94.83

Dipole, Da:

7.29

IP(EA), eV:

 -8.53(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-(1,3-benzodioxol-5-yl)-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CO)C2=CC3=C(CN(CC3)C4=NC=CC(=N4)C5=CN=CC=C5)C=C2)N6CCC(CC6)(C)C)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations