Geometry & MOs

Info

ID:	347570
PubChem CID:	127272425
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	3.01
IP(EA), eV:	-9.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2CCCCC2C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations