Geometry & MOs

Info

ID:	145104
PubChem CID:	53462338
Reduced:	O2C12H15 (2)
Stoich.:	A2B12C15 (2)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	3.25
IP(EA), eV:	-7.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentyl-9-azabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=CCC3C(C2CC1)CCC4(C3CCC4(C#C)OC(=O)C)C

DOS

IR

Vibrations