Geometry & MOs

Info

ID:	271804
PubChem CID:	103692818
Reduced:	OSF2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	2.47
IP(EA), eV:	-9.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methylpropoxy)propylamino]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNC(=O)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations