Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10N2
Datos Químicos de C7H10N2
ID
87415
Molecular Scaffold
dau@@@[IHhXfHVTwUUUUPRDbrE@@
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]1N[C@]11[C@H]2N3[C@@H]1[C@H]3C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11N2/c1-3-7(8-3)5-2-4-6(7)9(4)5/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZZUKPHPEENXXHY-FHKSGDNWSA-N