Geometry & MOs

Info

ID:	54728
PubChem CID:	17389168
Reduced:	I2N3O3H11C16 (1)
Stoich.:	A2B3C3D11E16 (1)
Weight, g/mol:	300.046569
ΔH_f, kcal/mol:	37.24
Dipole, Da:	10.88
IP(EA), eV:	-8.65(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OCC(=O)NN/C=C\2/C=C(C=C(C2=O)I)I

DOS

IR

Vibrations