Geometry & MOs

Info

ID:	337218
PubChem CID:	127256783
Reduced:	O3H12C16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	256.029107
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	1.23
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/2\C(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations