Geometry & MOs

Info

ID:	52902
PubChem CID:	14709176
Reduced:	OF2H4C8 (1)
Stoich.:	AB2C4D8 (1)
Weight, g/mol:	224.064886
ΔH_f, kcal/mol:	-32.59
Dipole, Da:	5.38
IP(EA), eV:	-10.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(7,7-difluoro-2-bicyclo[4.1.0]hepta-1,3,5-trienyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C2(F)F)C=O

DOS

IR

Vibrations