Geometry & MOs

Info

ID:	318579
PubChem CID:	126652101
Reduced:	FO3N4C29H35 (1)
Stoich.:	AB3C4D29E35 (1)
Weight, g/mol:	349.122655
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	4.88
IP(EA), eV:	-7.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-(hydroxymethyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2)N(C4=C(C(=C(C=C4C3=O)OC)N5CCC(CC5)N6CCOCC6)F)C(C)C

DOS

IR

Vibrations