Geometry & MOs

Info

ID:	200701
PubChem CID:	79429922
Reduced:	ClNF3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	310.04809
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	1.17
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-bromo-2-(3-fluorophenyl)propyl]-1-ethylpyrazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(CN)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations