Geometry & MOs

Info

ID:	142157
PubChem CID:	52992810
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	333.09535
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	2.13
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10bR)-5,10b-dimethyl-2,3,4,6,7,8,9,10-octahydro-1H-cyclopenta[a]quinolizin-5-ium;iodide

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1=C(C=CC=C1F)F)(C2CC2)O

DOS

IR

Vibrations