Geometry & MOs

Info

ID:	395026
PubChem CID:	135024463
Reduced:	OSN2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755600
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-piperidin-1-yl-2-piperidin-1-ylsulfanylethanone

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)SC(C(=O)C2=CC=CC=C2)N3CCCCC3

DOS

IR

Vibrations