Geometry & MOs

Info

ID:	416238
PubChem CID:	135089248
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	3.28
IP(EA), eV:	-8.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenoxy)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations