Geometry & MOs

Info

ID:	174503
PubChem CID:	75775095
Reduced:	N3O4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	513.298942
ΔH_f, kcal/mol:	-72.67
Dipole, Da:	6.51
IP(EA), eV:	-10.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-3-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(=O)C1OC(=O)C2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations