Geometry & MOs

Info

ID:	85658
PubChem CID:	49877886
Reduced:	ClON2H27C28 (1)
Stoich.:	ABC2D27E28 (1)
Weight, g/mol:	422.235814
ΔH_f, kcal/mol:	27.6
Dipole, Da:	3.7
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-butylphenyl)-3-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)C)/C(=O)N2C4=CC(=C(C=C4)Cl)C

DOS

IR

Vibrations