Geometry & MOs

Info

ID:	355510
PubChem CID:	127288573
Reduced:	ON7C16H25 (1)
Stoich.:	AB7C16D25 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	76.6
Dipole, Da:	5.15
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)CC3=NN=C(N3C4CC4)C

DOS

IR

Vibrations