Geometry & MOs

Info

ID:

144329

PubChem CID:

53350896

Reduced:

NOSCl2H10C11 (1)

Stoich.:

ABCD2E10F11 (1)

Weight, g/mol:

231.090031

ΔHf, kcal/mol:

34.24

Dipole, Da:

2.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750027

Charge, e:

 -1

Chem-info

IUPAC name:

2-[2-(2-aminoethoxy)phenoxy]ethanamine;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=CS2)CCl.[Cl-]

DOS

IR

Vibrations