Geometry & MOs

Info

ID:

190775

PubChem CID:

78055226

Reduced:

SN4O6C36H44 (1)

Stoich.:

AB4C6D36E44 (1)

Weight, g/mol:

704.451286

ΔHf, kcal/mol:

-152.07

Dipole, Da:

9.12

IP(EA), eV:

 -9.02(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-azabicyclo[2.2.2]octan-3-yl-[3-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]nonoxy]phenyl]methyl]-phenylcarbamic acid

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)OC(=O)NC(C3=CC(=CC=C3)OCCCCCCNCC(C4=CC=C(C5=NC(=O)C=CC45)O)O)C6=CC=CS6

DOS

IR

Vibrations