Geometry & MOs

Info

ID:	448552
PubChem CID:	135291792
Reduced:	FON2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	205.077265
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	4.1
IP(EA), eV:	-8.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(3S)-3-methylsulfanyloxypiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)N2CCN(CC2)C3CCOCC3)F

DOS

IR

Vibrations