Geometry & MOs

Info

ID:

44006

PubChem CID:

10322866

Reduced:

N5O6C24H25 (1)

Stoich.:

A5B6C24D25 (1)

Weight, g/mol:

479.242021

ΔHf, kcal/mol:

-165.36

Dipole, Da:

5.43

IP(EA), eV:

 -9.08(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-5-[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetyl]piperidin-4-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N[C@H]4[C@H]([C@H]([C@@H](C5=C4C6=CC=CC=C6C=C5)O)O)O)CO)O

DOS

IR

Vibrations