Geometry & MOs

Info

ID:

323841

PubChem CID:

126676302

Reduced:

F3O3N7H11C17 (1)

Stoich.:

A3B3C7D11E17 (1)

Weight, g/mol:

181.110279

ΔHf, kcal/mol:

-87.75

Dipole, Da:

7.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775558

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(1-methoxyethyl)-5-methylphenyl]hydroxylamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N=[N+]=N)NC(=O)C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations