Geometry & MOs

Info

ID:

432603

PubChem CID:

135172738

Reduced:

FN5O8C45H72 (1)

Stoich.:

AB5C8D45E72 (1)

Weight, g/mol:

483.176976

ΔHf, kcal/mol:

-371.1

Dipole, Da:

2.9

IP(EA), eV:

 -9.22(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[1-[2-[3-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@@H](C[C@H]2C1=C2C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3F)C(=O)OC(C)(C)C)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations