Geometry & MOs

Info

ID:	420535
PubChem CID:	135113710
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	303.138305
ΔH_f, kcal/mol:	11.31
Dipole, Da:	5.16
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C(C)N(C)CCC2=CC=CC=N2

DOS

IR

Vibrations