Geometry & MOs

Info

ID:

301137

PubChem CID:

123060036

Reduced:

NF3O5H28C30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

538.283158

ΔHf, kcal/mol:

-296.96

Dipole, Da:

7.25

IP(EA), eV:

 -9.03(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations