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January 28, 2026
C3H4N2
Datos Químicos de C3H4N2
ID
165
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C3H4N2
Elemental Composition %
C: 33.3333333333333%
H: 44.4444444444444%
O: 0%
N: 22.2222222222222%
Weight
68.0788
Programa de Cálculo
G16
SMILES
c1c[nH]nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-N