Geometry & MOs

Info

ID:	429553
PubChem CID:	135169602
Reduced:	IOF3N3H9C15 (1)
Stoich.:	ABC3D3E9F15 (1)
Weight, g/mol:	351.119461
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	3.25
IP(EA), eV:	-9.94(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)CI)C(F)(F)F

DOS

IR

Vibrations