Geometry & MOs

Info

ID:	245739
PubChem CID:	103023169
Reduced:	O2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	237.164126
ΔH_f, kcal/mol:	-238.03
Dipole, Da:	6.19
IP(EA), eV:	-10.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-3-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=CC(=CC=C1)C(F)(F)F)OC

DOS

IR

Vibrations