Geometry & MOs

Info

ID:	83535
PubChem CID:	49857714
Reduced:	ClN5F6O6H20C21 (1)
Stoich.:	AB5C6D6E20F21 (1)
Weight, g/mol:	293.109503
ΔH_f, kcal/mol:	-465.09
Dipole, Da:	5.38
IP(EA), eV:	-9.92(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-N-[(6-fluoroquinolin-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=C(C=C3)Cl)CN1C4=NC=C(C=N4)C(=O)NO.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations