Geometry & MOs

Info

ID:

436635

PubChem CID:

135206409

Reduced:

N3O4C32H41 (1)

Stoich.:

A3B4C32D41 (1)

Weight, g/mol:

442.258006

ΔHf, kcal/mol:

-128.83

Dipole, Da:

6.91

IP(EA), eV:

 -8.61(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CN=C(C=C2)C3=CN=C(C(=C3N4CCC(CC4)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations