Geometry & MOs

Info

ID:	429571
PubChem CID:	135169620
Reduced:	F3N3O3H12C14 (1)
Stoich.:	A3B3C3D12E14 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-199.57
Dipole, Da:	5.82
IP(EA), eV:	-9.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-(quinolin-5-yliminomethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=NC=CC2=C1C=CO2)C(F)(F)F

DOS

IR

Vibrations