Geometry & MOs

Info

ID:	85657
PubChem CID:	49877885
Reduced:	OF2N2H22C26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	442.181191
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	3.63
IP(EA), eV:	-9.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-butylphenyl)-3-(4-chloro-3-methylphenyl)-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)F)/C(=O)N2C4=CC=C(C=C4)F

DOS

IR

Vibrations