Geometry & MOs

Info

ID:

164061

PubChem CID:

74381713

Reduced:

N8O9C55H76 (1)

Stoich.:

A8B9C55D76 (1)

Weight, g/mol:

498.203383

ΔHf, kcal/mol:

-341.74

Dipole, Da:

7.27

IP(EA), eV:

 -9.14(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)OCC#CC#CCOC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)C(CO)N)C(=O)NC5CCCC6=CC=CC=C56)C(C)(C)C)NC

DOS

IR

Vibrations