Geometry & MOs

Info

ID:	399024
PubChem CID:	135037108
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	2.27
IP(EA), eV:	-9.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,5R)-3-ethyl-9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC(O[C@H]1C(C)C)C2=CC=CC=C2)[C@@H](C)C=C

DOS

IR

Vibrations