Geometry & MOs

Info

ID:	164546
PubChem CID:	74414800
Reduced:	FON4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	406.238019
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.058615
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-[5-[(3-fluorophenoxy)methyl]pyrazolidine-3-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations