Geometry & MOs

Info

ID:	311278
PubChem CID:	126590150
Reduced:	FN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	397.187564
ΔH_f, kcal/mol:	-167.56
Dipole, Da:	1.63
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3,6-dimethyloct-4-en-4-yl]-7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CC(=O)NC2=CC(=C(C=C2)O)F

DOS

IR

Vibrations