Geometry & MOs

Info

ID:	853
PubChem CID:	3437
Reduced:	NO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	253.073893
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.72
IP(EA), eV:	-9.79(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O

DOS

IR

Vibrations