Geometry & MOs

Info

ID:

184908

PubChem CID:

77227429

Reduced:

O2N3C17H25 (1)

Stoich.:

A2B3C17D25 (1)

Weight, g/mol:

796.347702

ΔHf, kcal/mol:

-84.55

Dipole, Da:

4.05

IP(EA), eV:

 -8.59(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[4-[2-chloro-5-ethoxy-4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]methyl]anilino]-4-oxobutyl]-2-phenylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)N2CC3CC(N(C3C2)C(=O)O)C(C)(C)C

DOS

IR

Vibrations