Geometry & MOs

Info

ID:	183147
PubChem CID:	76983744
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	97.82
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[5-(1H-pyrazol-4-yl)-2,3-dihydro-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC1(C2NOC(=N2)C3=C(NN=C3)N)C4=CC=CC=C4

DOS

IR

Vibrations