Geometry & MOs

Info

ID:	164206
PubChem CID:	74382287
Reduced:	N4O4C33H38 (1)
Stoich.:	A4B4C33D38 (1)
Weight, g/mol:	540.273656
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	7.76
IP(EA), eV:	-8.78(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-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)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations