Geometry & MOs

Info

ID:	26824
PubChem CID:	798865
Reduced:	BrFNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	317.121592
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	4.94
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoroanilino)-1-(4-phenylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)F

DOS

IR

Vibrations