Geometry & MOs

Info

ID:

432576

PubChem CID:

135172709

Reduced:

O3N8C27H34 (1)

Stoich.:

A3B8C27D34 (1)

Weight, g/mol:

498.224261

ΔHf, kcal/mol:

-18.19

Dipole, Da:

5.93

IP(EA), eV:

 -8.68(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-[N-methyl-3-(trifluoromethyl)anilino]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C=C)NC3=NC4=C(C(=N3)N5[C@H](COC5=O)C(C)C)NC=N4

DOS

IR

Vibrations