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C2H5N5

Datos Químicos de C2H5N5

ID

3737

Molecular Scaffold

gKZ@AEbeKcKP@

Molecular Formula

C2H5N5

Elemental Composition %

C: 16.6666666666667%
H: 41.6666666666667%
O: 0%
N: 41.6666666666667%

Weight

99.0967

Programa de Cálculo

G16

SMILES

CCn1nnnn1

Nivel de Teoría

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

InChI

InChI=1S/C2H5N5/c1-2-7-5-3-4-6-7/h2H2,1H3

Calculation Keys

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

InChIKey

UAVLGQDQPFENRN-UHFFFAOYSA-N

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