Geometry & MOs

Info

ID:	294212
PubChem CID:	117436378
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	273.093185
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	3.25
IP(EA), eV:	-8.65(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-6-methoxy-2-(piperidin-3-ylmethyl)phenol

Drug info:

PubChemData

Smile

CN1CCN(C(=O)C1)C2=CC=C(C=C2)C3CCCNC3

DOS

IR

Vibrations