Geometry & MOs

Info

ID:	85083
PubChem CID:	49871654
Reduced:	O3C14H23 (2)
Stoich.:	A3B14C23 (2)
Weight, g/mol:	194.074308
ΔH_f, kcal/mol:	-309.06
Dipole, Da:	4.96
IP(EA), eV:	-8.98(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C)C[C@H](C)[C@H](CC(=O)OCC1=CC=C(C=C1)OC)O)C[C@H](C)COC2CCCCO2

DOS

IR

Vibrations