Geometry & MOs

Info

ID:	205870
PubChem CID:	80168637
Reduced:	FN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	283.140614
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	7.99
IP(EA), eV:	-9.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanol

Drug info:

PubChemData

Smile

C1CC(CNC1)CCOCC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations