Geometry & MOs

Info

ID:	159531
PubChem CID:	57288423
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	98.040602
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	7.39
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-3H-pyridin-1-ium

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(N1)C(=O)N[C@@H](CC3=CN=CN3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations