Geometry & MOs

Info

ID:	262065
PubChem CID:	103267933
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	4.64
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-cyclopropylpropylamino)methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O)CNCC2=CN=CS2

DOS

IR

Vibrations