Geometry & MOs

Info

ID:	35638
PubChem CID:	7980126
Reduced:	FNO3H20C26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	413.142722
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	2.03
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)OC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations