Geometry & MOs

Info

ID:	35637
PubChem CID:	7980125
Reduced:	O2S2N5H13C17 (1)
Stoich.:	A2B2C5D13E17 (1)
Weight, g/mol:	413.142722
ΔH_f, kcal/mol:	144.41
Dipole, Da:	6.36
IP(EA), eV:	-9.26(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S/C(=C\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

DOS

IR

Vibrations