Geometry & MOs

Info

ID:	396715
PubChem CID:	135029071
Reduced:	NO2H21C27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	89.37
Dipole, Da:	5.73
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2C1(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations