Geometry & MOs

Info

ID:	16963
PubChem CID:	481149
Reduced:	BrFN2O2H20C21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	430.06922
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	3.67
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-bromo-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2)Br)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations