Geometry & MOs

Info

ID:	185544
PubChem CID:	77312163
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	587.317078
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	3.31
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine;9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

Drug info:

PubChemData

Smile

COCC1C(C(C(O1)N2C=C(C3=C(N=CN=C32)NC4=CC=CC=C4)C5=CC=CC=C5)O)O

DOS

IR

Vibrations