Geometry & MOs

Info

ID:	217290
PubChem CID:	85087558
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	1.23
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenyl)hydrazinylidene]-5-propyl-2-(pyridine-3-carbonyl)pyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=NO)C=CC1=CC=CC=C1OCC#CC2=CC=CC=C2

DOS

IR

Vibrations