Geometry & MOs

Info

ID:	151735
PubChem CID:	56310352
Reduced:	BrF2N2O2C20H21 (1)
Stoich.:	AB2C2D2E20F21 (1)
Weight, g/mol:	418.157182
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	6.54
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(dimethylamino)-3-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CC=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC(F)F

DOS

IR

Vibrations