Geometry & MOs

Info

ID:	176440
PubChem CID:	76049542
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	340.085935
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	3.69
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-oxo-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)CN2C3CCCCC3C4NC(NN4C2=O)C5=CC=CC=C5

DOS

IR

Vibrations