Geometry & MOs

Info

ID:	170354
PubChem CID:	75220299
Reduced:	BrClO2H12C18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	513.135173
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	4.69
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;2-[(4-tert-butylphenyl)methyl]-N-[(2-oxidophenyl)methylidene]-5-phenylpyrazole-3-carbohydrazonate

Drug info:

PubChemData

Smile

C1C(=CC2=C(O1)C=CC(=C2)Cl)C(=O)C=CC3=CC=CC=C3Br

DOS

IR

Vibrations