Geometry & MOs

Info

ID:	390972
PubChem CID:	135001938
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	2.06
IP(EA), eV:	-9.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylphenyl)sulfonylphenyl]pyrazole

Drug info:

PubChemData

Smile

CC(/C=C\C(=O)OCC1=CC=CC=C1)O

DOS

IR

Vibrations