Geometry & MOs

Info

ID:	303054
PubChem CID:	124489155
Reduced:	FSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	4.38
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations