Geometry & MOs

Info

ID:	127774
PubChem CID:	51014614
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	2.89
IP(EA), eV:	-9.89(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,6R)-8-benzyl-1'-methylspiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2,2'-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H]2CO[C@@H](O2)[C@@H]3[C@H]1[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations