Geometry & MOs

Info

ID:	125208
PubChem CID:	50915089
Reduced:	ON3C19H24 (2)
Stoich.:	AB3C19D24 (2)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	6.73
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3S,4R)-3-ethyl-2-phenylpiperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCC[C@H]2C3=NC=C(N3)C4=CC=C(C=C4)C#CC5=CN=C(N5)[C@@H]6CCCN6CC(=O)C7CCCCC7

DOS

IR

Vibrations