Geometry & MOs

Info

ID:	121458
PubChem CID:	50768644
Reduced:	FO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	-20.31
Dipole, Da:	6.6
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyanilino)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC2=C3C=CC=C(C3=NC=C2C#N)F)OC

DOS

IR

Vibrations