Geometry & MOs

Info

ID:	297145
PubChem CID:	117610323
Reduced:	FN4H13C24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	138.51
Dipole, Da:	6.47
IP(EA), eV:	-9.84(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-propoxy-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=C(C=C3C#N)C#N)F)C4=CC=CC=C4

DOS

IR

Vibrations