Geometry & MOs

Info

ID:	324808
PubChem CID:	126678388
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-186.73
Dipole, Da:	3.77
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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)CO

DOS

IR

Vibrations