Geometry & MOs

Info

ID:	165457
PubChem CID:	74552600
Reduced:	SN2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	284.101072
ΔH_f, kcal/mol:	23.69
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753484
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-3-ium

Drug info:

PubChemData

Smile

CN(C)C(C[NH3+])C1=CC=CS1

DOS

IR

Vibrations