Geometry & MOs

Info

ID:	23611
PubChem CID:	605106
Reduced:	BrClON2H4C5 (1)
Stoich.:	ABCD2E4F5 (1)
Weight, g/mol:	221.91955
ΔH_f, kcal/mol:	5.44
Dipole, Da:	6.62
IP(EA), eV:	-9.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-methylpyrazole-3-carbonyl chloride

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)Cl)Br

DOS

IR

Vibrations