Geometry & MOs

Info

ID:	361698
PubChem CID:	127304413
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	2.43
IP(EA), eV:	-9.33(-0.43)
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]-3-(oxolan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3CC3

DOS

IR

Vibrations