Geometry & MOs

Info

ID:	165458
PubChem CID:	74552627
Reduced:	OF3N3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	218.109351
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	6.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796190
Charge, e:	1

Chem-info

IUPAC name:

4-(4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-ium

Drug info:

PubChemData

Smile

C1CNC(C2=C1N=C[NH2+]2)C3=CC=CC=C3OC(F)(F)F

DOS

IR

Vibrations