Geometry & MOs

Info

ID:	261860
PubChem CID:	103255535
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-145.38
Dipole, Da:	4.31
IP(EA), eV:	-10.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)CCC(C1=O)NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations