Geometry & MOs

Info

ID:	302744
PubChem CID:	124394201
Reduced:	FON2H15C20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	434.103335
ΔH_f, kcal/mol:	38.38
Dipole, Da:	4.95
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

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COC1=CC=C(C=C1)N2C=CC=C2/C=C(/C#N)\C3=CC=CC=C3F

DOS

IR

Vibrations