Geometry & MOs

Info

ID:

169728

PubChem CID:

75141597

Reduced:

OF2N2H10C11 (2)

Stoich.:

AB2C2D10E11 (2)

Weight, g/mol:

507.170668

ΔHf, kcal/mol:

-192.58

Dipole, Da:

5.5

IP(EA), eV:

 -9.95(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2C(N=CN2CC3=CC(=C(C=C3)F)F)N(C1=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations