Geometry & MOs

Info

ID:	26823
PubChem CID:	798844
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	333.01645
ΔH_f, kcal/mol:	-22.53
Dipole, Da:	1.91
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-(4-fluoroanilino)but-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C=CNC2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations