Geometry & MOs

Info

ID:	183812
PubChem CID:	77073326
Reduced:	ON3F4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	293.069734
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	2.07
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CCC(F)(F)F)CC1=C(C=C(C=C1)C(=NO)N)F

DOS

IR

Vibrations