Geometry & MOs

Info

ID:

432584

PubChem CID:

135172718

Reduced:

NO3C13H18 (2)

Stoich.:

AB3C13D18 (2)

Weight, g/mol:

448.227454

ΔHf, kcal/mol:

-252.61

Dipole, Da:

2.8

IP(EA), eV:

 -9.14(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluoro-N-methylanilino)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H]1N([C@@H](C2)[C@@H]([C@@H](C)C(=O)N3[C@@H]([C@@H](OC3=O)C4=CC=CC=C4)C)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations