Geometry & MOs

Info

ID:	396035
PubChem CID:	135027235
Reduced:	OSH18C20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	33.78
Dipole, Da:	4.23
IP(EA), eV:	-8.26(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(4-methylphenyl)-5-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2C3=CC=CC=C3C

DOS

IR

Vibrations