Geometry & MOs

Info

ID:	46806
PubChem CID:	10527472
Reduced:	NO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	448.236208
ΔH_f, kcal/mol:	-293.23
Dipole, Da:	1.82
IP(EA), eV:	-9.63(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-[(2R,4S,5S)-5-[(Z)-7-hydroxyhept-1-en-3-ynyl]-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC(C)(C)C)NC(=O)C(C1CCCN1C(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations