Geometry & MOs

Info

ID:	85653
PubChem CID:	49877881
Reduced:	BrFION2H15C23 (1)
Stoich.:	ABCDE2F15G23 (1)
Weight, g/mol:	448.05865
ΔH_f, kcal/mol:	45.98
Dipole, Da:	3.02
IP(EA), eV:	-9.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-bromophenyl)-3-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)N2C(=N/C(=C\C3=CC=CC=C3F)/C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations