Geometry & MOs

Info

ID:	244793
PubChem CID:	99381468
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	2.3
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-2-(2-amino-2-oxoethyl)piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CC(=O)N)C(=O)C2=CC(=CC=C2)OCC3=CN=CC=C3

DOS

IR

Vibrations