Geometry & MOs

Info

ID:	156382
PubChem CID:	56370357
Reduced:	O4N5H17C18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	368.168912
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	7.31
IP(EA), eV:	-9.65(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[2-(4-chlorophenyl)sulfanylethyl]piperidin-4-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations