Geometry & MOs

Info

ID:

164204

PubChem CID:

74382285

Reduced:

ClFN4O4C26H30 (1)

Stoich.:

ABC4D4E26F30 (1)

Weight, g/mol:

600.217124

ΔHf, kcal/mol:

-137.63

Dipole, Da:

8.84

IP(EA), eV:

 -9.1(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NCC(C2=CC=C(C3=NC(=O)C=CC23)O)O)CCC(=O)NCC4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations