Geometry & MOs

Info

ID:	127531
PubChem CID:	51005147
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	383.194402
ΔH_f, kcal/mol:	-185.99
Dipole, Da:	1.43
IP(EA), eV:	-9.07(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,5S,6S,8R)-6,8-bis(acetyloxymethyl)-9-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate

Drug info:

PubChemData

Smile

C=CCOC(=O)N\1[C@H]2C=CC[C@H]([C@H]2O)/C1=C\CC3OCCCO3

DOS

IR

Vibrations