Geometry & MOs

Info

ID:	130443
PubChem CID:	51090873
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	7.21
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

CCSCCC(=O)NC1=CC=CC=C1C2=NNC(=N2)C(C)C

DOS

IR

Vibrations