Geometry & MOs

Info

ID:	373756
PubChem CID:	131319710
Reduced:	ClBr2N2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	345.97337
ΔH_f, kcal/mol:	57.25
Dipole, Da:	2.63
IP(EA), eV:	-9.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[chloro-(2-iodo-3-methylphenyl)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations