Geometry & MOs

Info

ID:

88735

PubChem CID:

49956405

Reduced:

N2O2Cl3C12H14 (1)

Stoich.:

A2B2C3D12E14 (1)

Weight, g/mol:

248.084217

ΔHf, kcal/mol:

-25.83

Dipole, Da:

4.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750023

Charge, e:

 -1

Chem-info

IUPAC name:

N-[(5-phenylfuran-2-yl)methyl]prop-2-en-1-amine;chloride

Drug info:

PubChemData

Smile

C1CC1NCC2=C(C(=CC(=C2)Cl)Cl)OCC(=O)N.[Cl-]

DOS

IR

Vibrations