Geometry & MOs

Info

ID:	322753
PubChem CID:	126671000
Reduced:	ClSN2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	186.115698
ΔH_f, kcal/mol:	50.98
Dipole, Da:	2.69
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-5-methylpyrazole

Drug info:

PubChemData

Smile

CCC1=NC(=NS1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations