Geometry & MOs

Info

ID:	85643
PubChem CID:	49877832
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	432.140469
ΔH_f, kcal/mol:	26.65
Dipole, Da:	6.39
IP(EA), eV:	-8.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C\3/C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations