Geometry & MOs

Info

ID:	429510
PubChem CID:	135169559
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	355.094389
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	3.52
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(6-fluoroquinolin-7-yl)iminobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=CC(=C1)CC(C)(C)NC(=O)C2=CC=CN3C2=CC=C3

DOS

IR

Vibrations