Geometry & MOs

Info

ID:	348009
PubChem CID:	127273071
Reduced:	SO4N5C16H25 (1)
Stoich.:	AB4C5D16E25 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	1.85
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=NN=C(O3)C(C)C

DOS

IR

Vibrations