Geometry & MOs

Info

ID:	226596
PubChem CID:	87544322
Reduced:	N2O4F5H19C22 (1)
Stoich.:	A2B4C5D19E22 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-324.9
Dipole, Da:	3.28
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-amino-3-fluoro-5-methylphenyl)-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

C/C=C/C1=C(C=CC(=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)N3CCN(C[C@H]3C)C(=O)O

DOS

IR

Vibrations