Geometry & MOs

Info

ID:	369606
PubChem CID:	127334886
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.63
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations