Geometry & MOs

Info

ID:	370229
PubChem CID:	127337896
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	6.92
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(CC3CC3)C4CCCCC4

DOS

IR

Vibrations