Geometry & MOs

Info

ID:	83886
PubChem CID:	49862203
Reduced:	F2N2O3C28H36 (1)
Stoich.:	A2B2C3D28E36 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-220.19
Dipole, Da:	1.66
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[(1R,5R,6S)-3-azabicyclo[3.2.1]octan-6-yl]oxy]phenyl]pyridin-3-ol;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC=CC(=C3)C4CCCO4)O

DOS

IR

Vibrations