Geometry & MOs

Info

ID:	361693
PubChem CID:	127304408
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	4.86
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations