Geometry & MOs

Info

ID:

179806

PubChem CID:

76534227

Reduced:

ClN3O4C12H16 (1)

Stoich.:

AB3C4D12E16 (1)

Weight, g/mol:

752.345952

ΔHf, kcal/mol:

-140.47

Dipole, Da:

5.09

IP(EA), eV:

 -9.75(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[3-[2-fluoro-4-[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]-5-methoxy-3-methylanilino]-3-oxopropyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC(=O)C(C(=N1)N2CCOCC2)Cl

DOS

IR

Vibrations