Geometry & MOs

Info

ID:

85492

PubChem CID:

49876041

Reduced:

ClNOC16H23 (1)

Stoich.:

ABCD16E23 (1)

Weight, g/mol:

214.099867

ΔHf, kcal/mol:

-13.38

Dipole, Da:

1.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750023

Charge, e:

 -1

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)propan-1-amine;chloride

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2OCC3CCNCC3.[Cl-]

DOS

IR

Vibrations