Geometry & MOs

Info

ID:	127892
PubChem CID:	51021568
Reduced:	NSiO2C21H33 (1)
Stoich.:	ABC2D21E33 (1)
Weight, g/mol:	359.228056
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	4.72
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]([C@@H]1[C@H]2CC[C@H](N2C)CC1=O)C3=CC=CC=C3

DOS

IR

Vibrations