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CHN3O

Datos Químicos de CHN3O

ID

174

Molecular Scaffold

gK]@IbDiZV@@

Molecular Formula

CHN3O

Elemental Composition %

C: 16.6666666666667%
H: 16.6666666666667%
O: 16.6666666666667%
N: 50%

Weight

71.0389

Programa de Cálculo

G16

SMILES

c1nnno1

Nivel de Teoría

B3LYP/6-31G(2df, p)

InChI

InChI=1S/CHN3O/c1-2-3-4-5-1/h1H

Calculation Keys

# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx

InChIKey

CQDAMYNQINDRQC-UHFFFAOYSA-N

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