Geometry & MOs

Info

ID:	24511
PubChem CID:	610685
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	4.67
IP(EA), eV:	-9.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-3-phenyl-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

DOS

IR

Vibrations