Geometry & MOs

Info

ID:	10862
PubChem CID:	108555
Reduced:	ClO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	372.098918
ΔH_f, kcal/mol:	8.89
Dipole, Da:	3.36
IP(EA), eV:	-8.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)Cl)OC)C3=CC=CC=C3

DOS

IR

Vibrations