Geometry & MOs

Info

ID:	261426
PubChem CID:	103233402
Reduced:	FNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	293.088578
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	6.98
IP(EA), eV:	-9.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-fluorophenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CNCCC2=CC=CC=C2F

DOS

IR

Vibrations