Geometry & MOs

Info

ID:	211553
PubChem CID:	81044363
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	4.99
IP(EA), eV:	-8.63(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations