Geometry & MOs

Info

ID:	181909
PubChem CID:	76812819
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	12.34
Dipole, Da:	5.08
IP(EA), eV:	-8.91(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(1-ethyl-4-methylpiperidine-4-carbonyl)amino]piperidin-4-ylidene]-N-oxo-4aH-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)NC2CC(=C3C=CC4C=C(C=NC4=C3)C(=O)N=O)CCN2

DOS

IR

Vibrations