Geometry & MOs

Info

ID:	288745
PubChem CID:	104324881
Reduced:	NF2O2H9C16 (1)
Stoich.:	AB2C2D9E16 (1)
Weight, g/mol:	275.094629
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	4.76
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations