Geometry & MOs

Info

ID:	380060
PubChem CID:	134964828
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	230.074308
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	3.41
IP(EA), eV:	-9.45(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-ol

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](CC(=O)C1=NC=CN1C)C/C(=C(/C(=O)OCC2=CC=CC=C2)\[N+]#N)/[O-]

DOS

IR

Vibrations