Geometry & MOs

Info

ID:	429697
PubChem CID:	135169748
Reduced:	ClO2F3N8H14C21 (1)
Stoich.:	AB2C3D8E14F21 (1)
Weight, g/mol:	351.119461
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	4.99
IP(EA), eV:	-8.69(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(6-methylquinolin-5-yl)iminobutanoate

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC(=O)N5)C(F)(F)F)Cl

DOS

IR

Vibrations