Geometry & MOs

Info

ID:	269167
PubChem CID:	103616212
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	4.53
IP(EA), eV:	-8.83(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-fluoro-2-prop-2-enoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCN(CC1)CCC(=O)OC

DOS

IR

Vibrations