Geometry & MOs

Info

ID:	318592
PubChem CID:	126652163
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	363.138305
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	10.6
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)N1C2=C(C=C(C(=C2)N3CCN(CC3)C)CO)C(=O)C4=C1NC5=C4C=CC(=C5)C#N

DOS

IR

Vibrations