Geometry & MOs

Info

ID:	1008
PubChem CID:	3661
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	2.97
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

DOS

IR

Vibrations