Geometry & MOs

Info

ID:

299212

PubChem CID:

117680338

Reduced:

NC39H41 (1)

Stoich.:

AB39C41 (1)

Weight, g/mol:

688.326085

ΔHf, kcal/mol:

103.99

Dipole, Da:

3.38

IP(EA), eV:

 -8.1(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[[3-[[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]methoxy]phenyl]-phenylmethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C(C)(CC3=CC=CC=C3)C(=C)/C=C/C4=CC5=CC=CC=C5N4CCC6CCCC6

DOS

IR

Vibrations