Geometry & MOs

Info

ID:	361675
PubChem CID:	127304390
Reduced:	N4O4C17H28 (1)
Stoich.:	A4B4C17D28 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	5.5
IP(EA), eV:	-9.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxan-2-yl-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C(C)OCC3CCCO3

DOS

IR

Vibrations