Geometry & MOs

Info

ID:	395962
PubChem CID:	135027031
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	488.246378
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	2.5
IP(EA), eV:	-9.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-phenanthren-9-yloxymethyl]quinolin-6-ol

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C(OC=N1)C2=CC=CO2

DOS

IR

Vibrations