Geometry & MOs

Info

ID:

164081

PubChem CID:

74381808

Reduced:

O4N5C32H38 (2)

Stoich.:

A4B5C32D38 (2)

Weight, g/mol:

478.258006

ΔHf, kcal/mol:

-258.46

Dipole, Da:

11.84

IP(EA), eV:

 -9.02(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-3-[4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]methyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)C5=CC=C(C=C5)C(=O)NC6CC(N(C6)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC7C8=CC=CC=C8C9=CC=CC=C79)C(C)(C)C)NC

DOS

IR

Vibrations