Geometry & MOs

Info

ID:	145078
PubChem CID:	53457269
Reduced:	ClSN2O8C23H25 (1)
Stoich.:	ABC2D8E23F25 (1)
Weight, g/mol:	318.126082
ΔH_f, kcal/mol:	-278.15
Dipole, Da:	1.81
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-chlorophenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(NC(=O)NC1=CS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations