Geometry & MOs

Info

ID:

139509

PubChem CID:

52544369

Reduced:

OF3N4C17H22 (1)

Stoich.:

AB3C4D17E22 (1)

Weight, g/mol:

369.157623

ΔHf, kcal/mol:

-94.59

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752407

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 2-[3-(2,4-dimethylphenyl)propanoylamino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)CC(F)(F)F

DOS

IR

Vibrations