Geometry & MOs

Info

ID:	396705
PubChem CID:	135029054
Reduced:	O3H10C18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	276.078644
ΔH_f, kcal/mol:	38.28
Dipole, Da:	5.21
IP(EA), eV:	-9.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbut-3-yne-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC(=O)C(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations