Geometry & MOs

Info

ID:	28994
PubChem CID:	831026
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	34.15
Dipole, Da:	4.86
IP(EA), eV:	-9.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-ethyl-3-phenyl-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations