Geometry & MOs

Info

ID:	124568
PubChem CID:	50887690
Reduced:	NOH8C10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	468.190989
ΔH_f, kcal/mol:	17.81
Dipole, Da:	4.38
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-4-methyl-2,6-dioxo-1-(2-phenylethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(C(=CC(=O)O3)C)C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations