Geometry & MOs

Info

ID:	288730
PubChem CID:	104324563
Reduced:	NO4H9C16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	6.23
IP(EA), eV:	-9.73(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OC3=CC=CC=C3C(=O)O

DOS

IR

Vibrations