Geometry & MOs

Info

ID:	45528
PubChem CID:	10514540
Reduced:	BSiF3C8H15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-207.76
Dipole, Da:	10.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751850
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-[(E)-prop-1-enoxy]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

[B-](C#C[Si](CC)(CC)CC)(F)(F)F

DOS

IR

Vibrations