Geometry & MOs

Info

ID:	227889
PubChem CID:	87562868
Reduced:	ClN3O3H22C25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	20.25
Dipole, Da:	4.9
IP(EA), eV:	-8.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=NC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)CN4CCOCC4)Cl

DOS

IR

Vibrations