Geometry & MOs

Info

ID:	85659
PubChem CID:	49877887
Reduced:	ON2C29H30 (1)
Stoich.:	AB2C29D30 (1)
Weight, g/mol:	426.210742
ΔH_f, kcal/mol:	29.24
Dipole, Da:	3.58
IP(EA), eV:	-8.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-butylphenyl)-3-(2,4-dimethylphenyl)-5-[(4-fluorophenyl)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=C(C=C(C=C4)C)C

DOS

IR

Vibrations