Geometry & MOs

Info

ID:	200719
PubChem CID:	79431500
Reduced:	BrFCl2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	312.00289
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	3.03
IP(EA), eV:	-9.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromophenyl)-3-chloropropyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(CC2=C(C=C(C=C2)F)Cl)CCl

DOS

IR

Vibrations