Geometry & MOs

Info

ID:	318591
PubChem CID:	126652159
Reduced:	FNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	4.66
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-3-(4-methylpiperazin-1-yl)-11-oxo-5-pentan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CCCC(C)NC1=CC(=C(C=C1)CO)F

DOS

IR

Vibrations