Geometry & MOs

Info

ID:	318598
PubChem CID:	126652194
Reduced:	BrFNO3H5C7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	529.248918
ΔH_f, kcal/mol:	-68.09
Dipole, Da:	5.02
IP(EA), eV:	-10.55(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclobutyl-4-fluoro-2-(hydroxymethyl)-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CO)Br)F)[N+](=O)[O-]

DOS

IR

Vibrations