Geometry & MOs

Info

ID:	12718
PubChem CID:	144474
Reduced:	ClO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	272.060407
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	4.61
IP(EA), eV:	-9.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-3-phenyl-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3OC2=O)CCCl

DOS

IR

Vibrations