Geometry & MOs

Info

ID:	48689
PubChem CID:	11110518
Reduced:	O2Se2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	338.079038
ΔH_f, kcal/mol:	110.16
Dipole, Da:	8.02
IP(EA), eV:	-8.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-5-(3-hydroxyprop-1-ynyl)-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC[Se]/C=C(/C(=O)C#CCOC)\[Se]CC

DOS

IR

Vibrations