Geometry & MOs

Info

ID:	261734
PubChem CID:	103248111
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	282.083827
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	7.71
IP(EA), eV:	-9.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-aminopropylamino)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)O)NCCCN

DOS

IR

Vibrations