Geometry & MOs

Info

ID:	186901
PubChem CID:	77503385
Reduced:	SF3N3O6C24H26 (1)
Stoich.:	AB3C3D6E24F26 (1)
Weight, g/mol:	365.132463
ΔH_f, kcal/mol:	-382.95
Dipole, Da:	4.76
IP(EA), eV:	-10.02(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-fluorophenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C(C1)CS(=O)(=O)C2=CC=CC=C2)NC(=O)CNC(=O)N(C3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations