Geometry & MOs

Info

ID:	271111
PubChem CID:	103643577
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	297.056799
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	4.23
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-chloro-5-fluoroanilino)methyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

COC1CCCN(C1)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations