Geometry & MOs

Info

ID:	262062
PubChem CID:	103267860
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	271.084458
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	3.86
IP(EA), eV:	-8.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(furan-3-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCS(=O)C)NCC1=CC=C(C=C1)C(C)C(=O)O

DOS

IR

Vibrations