Geometry & MOs

Info

ID:	261691
PubChem CID:	103245600
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	311.099143
ΔH_f, kcal/mol:	-152.07
Dipole, Da:	3.42
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[(3-methoxy-2-methylpropyl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CNCCOC1=CC=CC(=C1)C(=O)O)COC

DOS

IR

Vibrations