Geometry & MOs

Info

ID:	51267
PubChem CID:	12013911
Reduced:	ClON4H23C33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	536.184841
ΔH_f, kcal/mol:	159.05
Dipole, Da:	2.14
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-naphthalen-1-ylacetyl)-3,5-diphenylpyrazol-4-yl]diazenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)N=NC6=CC=C(C=C6)Cl

DOS

IR

Vibrations