Geometry & MOs

Info

ID:	383262
PubChem CID:	134974887
Reduced:	SSi3O4C29H56 (1)
Stoich.:	AB3C4D29E56 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-360.57
Dipole, Da:	1.06
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-7-[(1S)-1-phenylethyl]-3-oxa-7-azabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]([C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations