Geometry & MOs

Info

ID:	16307
PubChem CID:	463978
Reduced:	OCl2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	331.027917
ΔH_f, kcal/mol:	44.37
Dipole, Da:	5.27
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroanilino)-5-[(2-chlorophenyl)methylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations