Geometry & MOs

Info

ID:	25452
PubChem CID:	625244
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	286.039672
ΔH_f, kcal/mol:	65.0
Dipole, Da:	0.56
IP(EA), eV:	-8.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylidene]-6-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=NO)CC=C4C3(CCC=C4)C

DOS

IR

Vibrations