Geometry & MOs

Info

ID:	192384
PubChem CID:	78263366
Reduced:	NCl2S2O5H14C20 (1)
Stoich.:	AB2C2D5E14F20 (1)
Weight, g/mol:	312.196354
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818109
Charge, e:	1

Chem-info

IUPAC name:

1-(4-phenylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)Cl)Cl)C=C3C(=O)N(C(=S)S3)CC(=O)[O-]

DOS

IR

Vibrations