Geometry & MOs

Info

ID:	294273
PubChem CID:	117448480
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-71.87
Dipole, Da:	2.67
IP(EA), eV:	-8.81(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-5-methoxy-2-methylsulfanylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CC(CSC1)OC2=CC=C(C=C2)C3CNCCO3

DOS

IR

Vibrations