Geometry & MOs

Info

ID:

9090

PubChem CID:

85908

Reduced:

ClON4H14C17 (2)

Stoich.:

ABC4D14E17 (2)

Weight, g/mol:

650.171228

ΔHf, kcal/mol:

151.17

Dipole, Da:

3.4

IP(EA), eV:

 -8.59(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-chloro-4-[3-chloro-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)C)C)Cl)Cl

DOS

IR

Vibrations