Geometry & MOs

Info

ID:	369609
PubChem CID:	127334889
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	26.45
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations