Geometry & MOs

Info

ID:	373755
PubChem CID:	131319705
Reduced:	BrN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	363.88005
ΔH_f, kcal/mol:	68.75
Dipole, Da:	1.67
IP(EA), eV:	-9.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[chloro-(2,5-dibromophenyl)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(C2C3C2C4CCC3C4)Br

DOS

IR

Vibrations