Geometry & MOs

Info

ID:

136055

PubChem CID:

51972086

Reduced:

N2O3C17H19 (1)

Stoich.:

A2B3C17D19 (1)

Weight, g/mol:

300.111494

ΔHf, kcal/mol:

-28.05

Dipole, Da:

25.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.044337

Charge, e:

 1

Chem-info

IUPAC name:

3-[[2-(5-chloro-2-hydroxyanilino)-2-oxoacetyl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)N3CCC(CC3)C(=O)[O-]

DOS

IR

Vibrations