Geometry & MOs

Info

ID:	17977
PubChem CID:	530723
Reduced:	FOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	222.049236
ΔH_f, kcal/mol:	-82.7
Dipole, Da:	3.36
IP(EA), eV:	-9.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-2-en-4-ynyl 2,6-difluorobenzoate

Drug info:

PubChemData

Smile

C#CC=CCOC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations