Geometry & MOs

Info

ID:

165499

PubChem CID:

74558946

Reduced:

BrClN3O3C13H14 (1)

Stoich.:

ABC3D3E13F14 (1)

Weight, g/mol:

290.114081

ΔHf, kcal/mol:

-47.74

Dipole, Da:

3.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.260861

Charge, e:

 -1

Chem-info

IUPAC name:

4-[[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoate

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NN=CC2=C(C(=CC(=C2)Br)Cl)[O-]

DOS

IR

Vibrations