Geometry & MOs

Info

ID:	181908
PubChem CID:	76812818
Reduced:	N3O3C20H22 (1)
Stoich.:	A3B3C20D22 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.171539
Charge, e:	0

Chem-info

IUPAC name:

N-oxo-7-[2-(piperidine-4-carbonylamino)piperidin-4-ylidene]-4aH-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)CC3=CNC4=C3C=CC=[N+]4O

DOS

IR

Vibrations