Geometry & MOs

Info

ID:	294017
PubChem CID:	117422090
Reduced:	FNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-125.5
Dipole, Da:	4.59
IP(EA), eV:	-8.77(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

COCC1=C(C=C(C(=C1)CC2CCCNC2)F)OC

DOS

IR

Vibrations