Geometry & MOs

Info

ID:	85654
PubChem CID:	49877882
Reduced:	BrFON2H18C24 (1)
Stoich.:	ABCD2E18F24 (1)
Weight, g/mol:	416.05243
ΔH_f, kcal/mol:	19.25
Dipole, Da:	2.33
IP(EA), eV:	-8.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-benzylidene-3-(2-bromo-4-methylphenyl)-2-phenylimidazol-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations