Geometry & MOs

Info

ID:	173236
PubChem CID:	75611623
Reduced:	BrCl2N3O3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	542.96545
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	1.32
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]-N-(4-iodophenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC(=O)NN=C(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations