Geometry & MOs

Info

ID:	72887
PubChem CID:	48416651
Reduced:	O2N3C9H10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-13.04
Dipole, Da:	1.92
IP(EA), eV:	-9.37(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCNC4=O

DOS

IR

Vibrations