Geometry & MOs

Info

ID:	136933
PubChem CID:	52123731
Reduced:	FO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	421.203979
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	4.16
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC(=O)C3CCN(CC3)CC4=NN=C(O4)C5=CC=C(C=C5)F

DOS

IR

Vibrations