Geometry & MOs

Info

ID:	121450
PubChem CID:	50768378
Reduced:	BrSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	293.071975
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	4.34
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCN(CC1)C2=NN=C(C=C2)SC3=CC=C(C=C3)Br)O

DOS

IR

Vibrations