Geometry & MOs

Info

ID:	288746
PubChem CID:	104324884
Reduced:	NO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	55.54
Dipole, Da:	4.24
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpentoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)COC3=C(OC4=CC=CC=C43)C#N

DOS

IR

Vibrations