Geometry & MOs

Info

ID:	429751
PubChem CID:	135169802
Reduced:	ClO2F3N8H20C25 (1)
Stoich.:	AB2C3D8E20F25 (1)
Weight, g/mol:	351.119461
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	7.02
IP(EA), eV:	-9.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOCC1=NC=C(C2=CC=CC=C21)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F

DOS

IR

Vibrations