Geometry & MOs

Info

ID:	324810
PubChem CID:	126678390
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-223.93
Dipole, Da:	3.21
IP(EA), eV:	-8.79(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2S,3R,5R)-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([C@H](C2)C3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations