Geometry & MOs

Info

ID:

85524

PubChem CID:

49876366

Reduced:

BrClON3C18H20 (1)

Stoich.:

ABCD3E18F20 (1)

Weight, g/mol:

350.01586

ΔHf, kcal/mol:

53.24

Dipole, Da:

5.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.963959

Charge, e:

 -1

Chem-info

IUPAC name:

1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br.[Cl-]

DOS

IR

Vibrations