Geometry & MOs

Info

ID:	397212
PubChem CID:	135029896
Reduced:	N2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-193.62
Dipole, Da:	4.65
IP(EA), eV:	-9.56(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(2-cyanophenoxy)-2-fluoroacetyl]-3,4-dihydro-2H-quinolin-7-yl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)C[C@@H]2[C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations