Geometry & MOs

Info

ID:	374273
PubChem CID:	131326044
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	284.95492
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	4.91
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(2-fluoro-4-nitrophenyl)-1H-pyrazole

Drug info:

PubChemData

Smile

CCOC1=CC2=C(S1)C(=C(C=C2)Br)CCl

DOS

IR

Vibrations