Geometry & MOs

Info

ID:	16308
PubChem CID:	463980
Reduced:	ON3Cl4H9C16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	400.947023
ΔH_f, kcal/mol:	28.07
Dipole, Da:	4.54
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichloroanilino)-5-[(2,6-dichlorophenyl)methylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C=C2C(=O)N=C(N2)NC3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations