Geometry & MOs

Info

ID:	261896
PubChem CID:	103257474
Reduced:	FNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	5.26
IP(EA), eV:	-8.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)NCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations