Geometry & MOs

Info

ID:	164205
PubChem CID:	74382286
Reduced:	N2O2F3C14H15 (2)
Stoich.:	A2B2C3D14E15 (2)
Weight, g/mol:	554.289306
ΔH_f, kcal/mol:	-407.45
Dipole, Da:	5.8
IP(EA), eV:	-9.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-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=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations