Geometry & MOs

Info

ID:	16583
PubChem CID:	473232
Reduced:	ClN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	430.144806
ΔH_f, kcal/mol:	10.12
Dipole, Da:	8.76
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methylidene]-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2C(=CC3=CC=CC=C3Cl)C(=O)N=C2C4=CC=CC=C4)C(C)C)O

DOS

IR

Vibrations