Geometry & MOs

Info

ID:	429586
PubChem CID:	135169635
Reduced:	ClOF3N9H17C24 (1)
Stoich.:	ABC3D9E17F24 (1)
Weight, g/mol:	355.094389
ΔH_f, kcal/mol:	0.15
Dipole, Da:	7.19
IP(EA), eV:	-8.42(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(3-fluoroquinolin-5-yl)iminobutanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(C5=C(C=CC=N5)N)N)Cl)C(F)(F)F

DOS

IR

Vibrations