Geometry & MOs

Info

ID:	227552
PubChem CID:	87561971
Reduced:	KO3C24H37 (1)
Stoich.:	AB3C24D37 (1)
Weight, g/mol:	150.054161
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	6.25
IP(EA), eV:	-8.93(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(1,2-dihydropyrazol-3-ylidene)-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CC)C(=O)[O-].[K+]

DOS

IR

Vibrations