Geometry & MOs

Info

ID:	153943
PubChem CID:	56313296
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	418.172642
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	11.62
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)sulfonyl-N-(3-phenylbutyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)/C=C(/C#N)\C(=O)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations