Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
89596
Molecular Scaffold
gJx@@eKEcUUD`@
Molecular Formula
C7H10N2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 0%
N: 10.5263157894737%
Weight
122.17
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@H]2N[C@]2(CC#N)C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10N2/c1-5-4-7(2-3-8)6(5)9-7/h5-6,9H,2,4H2,1H3/t5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CIECSUNCDOLWDK-FSDSQADBSA-N