Geometry & MOs

Info

ID:	133529
PubChem CID:	51541052
Reduced:	ON4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	351.136962
ΔH_f, kcal/mol:	66.32
Dipole, Da:	5.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.956588
Charge, e:	1

Chem-info

IUPAC name:

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCN2CCC[C@@H](C2)C[NH+](C)CC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations