Geometry & MOs

Info

ID:	261987
PubChem CID:	103264710
Reduced:	NO4C13H27 (1)
Stoich.:	AB4C13D27 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-199.26
Dipole, Da:	0.71
IP(EA), eV:	-8.85(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-butoxypropylamino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOCCCNCCOCC(=O)OCC

DOS

IR

Vibrations