Geometry & MOs

Info

ID:	85547
PubChem CID:	49876712
Reduced:	ClNO5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	330.16361
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	5.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCOCC3)O.[Cl-]

DOS

IR

Vibrations