Geometry & MOs

Info

ID:	15983
PubChem CID:	457203
Reduced:	NOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	303.165686
ΔH_f, kcal/mol:	9.63
Dipole, Da:	4.2
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-propoxyphenyl)sulfanylbut-2-ynyl]piperidine

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)SCC#CCN2CCCCC2

DOS

IR

Vibrations