Geometry & MOs

Info

ID:	164203
PubChem CID:	74382284
Reduced:	O5N6C13H18 (1)
Stoich.:	A5B6C13D18 (1)
Weight, g/mol:	516.193961
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	6.09
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N.O

DOS

IR

Vibrations