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January 28, 2026
C3H7N3
Datos Químicos de C3H7N3
ID
380
Molecular Formula
C3H7N3
Elemental Composition %
C: 23.0769230769231%
H: 53.8461538461539%
O: 0%
N: 23.0769230769231%
Weight
85.1096
Programa de Cálculo
G16
SMILES
NC[C@H](C#N)N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
AHHLOPQSUMHMJL-GSVOUGTGSA-N