Geometry & MOs

Info

ID:	418885
PubChem CID:	135107078
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	1.96
IP(EA), eV:	-9.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-3-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=NOC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations