Geometry & MOs

Info

ID:

85525

PubChem CID:

49876371

Reduced:

BrClNO3C13H18 (1)

Stoich.:

ABCD3E13F18 (1)

Weight, g/mol:

246.045244

ΔHf, kcal/mol:

-74.46

Dipole, Da:

3.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750028

Charge, e:

 -1

Chem-info

IUPAC name:

3-(2-chloroethylamino)-1-phenylpropan-1-one;chloride

Drug info:

PubChemData

Smile

C1COCCN1CC(COC2=CC=C(C=C2)Br)O.[Cl-]

DOS

IR

Vibrations