Geometry & MOs

Info

ID:	395435
PubChem CID:	135025457
Reduced:	ClNO2F3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	-192.63
Dipole, Da:	4.25
IP(EA), eV:	-9.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-7-fluoro-3-methyl-2H-1-benzofuran-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)OC3=C(C1=O)C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations