Geometry & MOs

Info

ID:	88611
PubChem CID:	49955723
Reduced:	ClNO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	356.082024
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763221
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-methoxyphenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=CO1)C(=O)OCC.[Cl-]

DOS

IR

Vibrations