Geometry & MOs

Info

ID:	155526
PubChem CID:	56365862
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	446.177249
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	6.87
IP(EA), eV:	-9.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(2-chloro-4-fluorophenoxy)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)F)C)[N+](=O)[O-]

DOS

IR

Vibrations