Geometry & MOs

Info

ID:

88751

PubChem CID:

49956512

Reduced:

ClNOF3H14C19 (1)

Stoich.:

ABCD3E14F19 (1)

Weight, g/mol:

234.069054

ΔHf, kcal/mol:

-124.32

Dipole, Da:

4.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.052876

Charge, e:

 -2

Chem-info

IUPAC name:

N'-benzylpropane-1,3-diamine;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)N.[Cl-]

DOS

IR

Vibrations