Geometry & MOs

Info

ID:	18555
PubChem CID:	542757
Reduced:	BrClO2N3H5C6 (1)
Stoich.:	ABC2D3E5F6 (1)
Weight, g/mol:	264.92537
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	1.25
IP(EA), eV:	-10.09(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-chloroacetyl)pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=NN1C(=O)NC(=O)CCl)Br

DOS

IR

Vibrations