Geometry & MOs

Info

ID:	197229
PubChem CID:	78939139
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	237.152892
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	2.07
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-fluoro-6-(4-methylpiperidin-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N2CCCC2)Br)O

DOS

IR

Vibrations