Geometry & MOs

Info

ID:	411267
PubChem CID:	135084080
Reduced:	BrNSO2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	5.08
Dipole, Da:	6.3
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfinyl)-1-prop-2-enylpyrazole

Drug info:

PubChemData

Smile

CCS(=O)/C(=C(/C1=CC=C(C=C1)OC)\Br)/C#N

DOS

IR

Vibrations