Geometry & MOs

Info

ID:	121452
PubChem CID:	50768549
Reduced:	ClN3H16C19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	311.062553
ΔH_f, kcal/mol:	80.64
Dipole, Da:	4.14
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(4-fluoro-2-methylanilino)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C#N)Cl

DOS

IR

Vibrations