Geometry & MOs

Info

ID:	439203
PubChem CID:	135228968
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-58.18
Dipole, Da:	7.33
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperidin-1-yl)-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)OC(CC1C2=C(C=CCC2)C3=CN=CN13)C4CCCCC4

DOS

IR

Vibrations