Geometry & MOs

Info

ID:

85555

PubChem CID:

49876787

Reduced:

N2Cl3C6H6 (1)

Stoich.:

A2B3C6D6 (1)

Weight, g/mol:

354.19483

ΔHf, kcal/mol:

51.27

Dipole, Da:

1.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750059

Charge, e:

 -1

Chem-info

IUPAC name:

4-tert-butyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]benzamide;chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NN)Cl.[Cl-]

DOS

IR

Vibrations