Geometry & MOs

Info

ID:

170078

PubChem CID:

75193769

Reduced:

O3F4N4H18C27 (1)

Stoich.:

A3B4C4D18E27 (1)

Weight, g/mol:

494.195405

ΔHf, kcal/mol:

-194.66

Dipole, Da:

9.68

IP(EA), eV:

 -9.05(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-(3-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)F)C=C4C(=O)N(C(=O)N4)CC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations