Geometry & MOs

Info

ID:	360128
PubChem CID:	127300581
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	394.096331
ΔH_f, kcal/mol:	45.06
Dipole, Da:	3.48
IP(EA), eV:	-10.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=NOC(=N4)CCN5C=NC=N5

DOS

IR

Vibrations