Geometry & MOs

Info

ID:	262038
PubChem CID:	103267035
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	6.37
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(but-3-yn-2-ylamino)methyl]-1-benzofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)CNCCOC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations