Geometry & MOs

Info

ID:	124220
PubChem CID:	50875300
Reduced:	SN2O2C22H28 (1)
Stoich.:	AB2C2D22E28 (1)
Weight, g/mol:	340.160935
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	3.99
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)CNC(=O)CSCC3=CC=CC=C3

DOS

IR

Vibrations