Geometry & MOs

Info

ID:	125015
PubChem CID:	50907349
Reduced:	H3C5 (8)
Stoich.:	A3B5 (8)
Weight, g/mol:	441.231537
ΔH_f, kcal/mol:	165.2
Dipole, Da:	0.54
IP(EA), eV:	-8.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-decyl-5-oxochromeno[2,3-b]pyridin-2-yl)-2-fluoroacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C5=C(C6=CC=CC=C6C7=C5C3=C(C=C7)C8=CC=CC=C82)C9=CC=CC=C9

DOS

IR

Vibrations