Geometry & MOs

Info

ID:	200720
PubChem CID:	79431501
Reduced:	BrClN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	419.94265
ΔH_f, kcal/mol:	44.38
Dipole, Da:	3.07
IP(EA), eV:	-9.36(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[2-(3-bromophenyl)-3-chloropropyl]-3-ethyl-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC(CCl)C2=CC(=CC=C2)Br

DOS

IR

Vibrations