Geometry & MOs

Info

ID:	49914
PubChem CID:	11538032
Reduced:	F2O2N6H16C17 (1)
Stoich.:	A2B2C6D16E17 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	3.56
IP(EA), eV:	-9.27(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-[4-[(4-methylphenyl)methyl]piperidine-1-carbonyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=C/C(=C\3/N=NNN3C4=C(C(=CC=C4)F)F)/C=N2

DOS

IR

Vibrations