Geometry & MOs

Info

ID:	28467
PubChem CID:	827782
Reduced:	OSN4H12C17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	99.77
Dipole, Da:	3.59
IP(EA), eV:	-9.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-methoxyphenyl)ethylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations