Geometry & MOs

Info

ID:	245056
PubChem CID:	99432266
Reduced:	BrON2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	456.178453
ΔH_f, kcal/mol:	18.2
Dipole, Da:	3.34
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3-fluorophenoxy)pyridin-3-yl]-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)Br)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations