Geometry & MOs

Info

ID:	253963
PubChem CID:	103121857
Reduced:	FSO2N4C12H13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	6.64
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCCN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations