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January 28, 2026
C5H7N
Datos Químicos de C5H7N
ID
716
Molecular Scaffold
dfF@@@RidqBrjjjHEDRX`@
Molecular Formula
C5H7N
Elemental Composition %
C: 38.4615384615385%
H: 53.8461538461539%
O: 0%
N: 7.69230769230769%
Weight
81.1176
Programa de Cálculo
G16
SMILES
C1[C@@H](C2)N3[C@@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JZJVUFHALUCKER-ZXFHETKHSA-N