Geometry & MOs

Info

ID:	127515
PubChem CID:	51004683
Reduced:	O2C5H5 (4)
Stoich.:	A2B5C5 (4)
Weight, g/mol:	329.271865
ΔH_f, kcal/mol:	-286.05
Dipole, Da:	1.31
IP(EA), eV:	-10.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-8-butyl-3-(3-methyl-1-phenylbutoxy)-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1(C(=O)O[C@@]2(O1)[C@H]3C=C[C@@H](C2=O)[C@H]4[C@@H]3[C@]5(C(=O)C=C4)OC(=O)C(O5)(C)C)C

DOS

IR

Vibrations