Geometry & MOs

Info

ID:	381509
PubChem CID:	134972267
Reduced:	SiO4C32H40 (1)
Stoich.:	AB4C32D40 (1)
Weight, g/mol:	275.96473
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	3.27
IP(EA), eV:	-8.78(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(iodomethylidene)-4,5,6,7-tetrahydro-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C[C@@](CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)([C@@](C)(C#C)O)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations