Geometry & MOs

Info

ID:	35646
PubChem CID:	7980136
Reduced:	FNO3H18C25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	409.131408
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	1.77
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC=CO4)C(=O)OCC5=CC=CC=C5F

DOS

IR

Vibrations