Geometry & MOs

Info

ID:	360634
PubChem CID:	127301279
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	377.279075
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.37
IP(EA), eV:	-8.74(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations