Geometry & MOs

Info

ID:

185442

PubChem CID:

77300353

Reduced:

ON4C18H24 (1)

Stoich.:

AB4C18D24 (1)

Weight, g/mol:

735.412622

ΔHf, kcal/mol:

44.07

Dipole, Da:

4.0

IP(EA), eV:

 -9.01(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl]ethyl]-[6-[2-(4-nitrophenyl)ethoxy]hexyl]carbamic acid

Drug info:

PubChemData

Smile

CC1CC(NN1)C2=NC(=NO2)C3=CC=C(C=C3)C4CCCCC4

DOS

IR

Vibrations