Geometry & MOs

Info

ID:	368550
PubChem CID:	127329453
Reduced:	O3N4C20H36 (1)
Stoich.:	A3B4C20D36 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	5.84
IP(EA), eV:	-8.72(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)CC3CCOCC3

DOS

IR

Vibrations