Geometry & MOs

Info

ID:	128950
PubChem CID:	51064125
Reduced:	SCl2N2O2F3H5C7 (1)
Stoich.:	AB2C2D2E3F5G7 (1)
Weight, g/mol:	320.129156
ΔH_f, kcal/mol:	-183.01
Dipole, Da:	6.66
IP(EA), eV:	-10.01(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)Cl)NNCl

DOS

IR

Vibrations