Geometry & MOs

Info

ID:	176057
PubChem CID:	75989796
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	240.058658
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	3.73
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylidene-6-fluoro-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C(CCO)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

DOS

IR

Vibrations