Geometry & MOs

Info

ID:

167592

PubChem CID:

74846884

Reduced:

O3N4H24C28 (1)

Stoich.:

A3B4C24D28 (1)

Weight, g/mol:

509.125467

ΔHf, kcal/mol:

-0.62

Dipole, Da:

5.06

IP(EA), eV:

 -8.81(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)C=C4C(=O)N(C(=O)N4)CC5=CC=CC=C5)C

DOS

IR

Vibrations