Geometry & MOs

Info

ID:	124294
PubChem CID:	50877176
Reduced:	FON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	6.61
IP(EA), eV:	-9.52(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(quinolin-4-ylamino)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CN=C3C(=C2N1)C=CC=C3F

DOS

IR

Vibrations