Geometry & MOs

Info

ID:	396674
PubChem CID:	135029018
Reduced:	O2H22C25 (1)
Stoich.:	A2B22C25 (1)
Weight, g/mol:	226.080536
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	4.9
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(2,6-difluorophenyl)but-2-enoate

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C=C1)C(=O)OC(=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations