Geometry & MOs

Info

ID:	231722
PubChem CID:	87574521
Reduced:	O5F6H7C16 (2)
Stoich.:	A5B6C7D16 (2)
Weight, g/mol:	212.066029
ΔH_f, kcal/mol:	-932.09
Dipole, Da:	8.67
IP(EA), eV:	-10.58(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2,2,2-trifluoroethoxy)pent-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)OC2=C(C(=C(C=C2)C(=O)O)C(=O)O)C(F)(F)F)C3=C(C(=CC=C3)C(F)(F)F)OC4=C(C(=C(C=C4)C(=O)O)C(=O)O)C(F)(F)F

DOS

IR

Vibrations