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January 28, 2026
C6H7N3
Datos Químicos de C6H7N3
ID
74549
Molecular Scaffold
daU@@@IJfULKjZjjjHEBRX`_pTXRUcX
Molecular Formula
C6H7N3
Elemental Composition %
C: 37.5%
H: 43.75%
O: 0%
N: 18.75%
Weight
121.143
Programa de Cálculo
G16
SMILES
N[C@]([CH]1)[C@H]2N3[C@@]1[N]C[C@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11N3/c7-3-1-5-8-2-4-6(3)9(4)5/h1,3-6,8-9H,2,7H2/t3-,4-,5+,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UNHYOZTWRGMFHP-ZXXMMSQZSA-N