Geometry & MOs

Info

ID:	149658
PubChem CID:	53789332
Reduced:	NH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	462.243765
ΔH_f, kcal/mol:	73.79
Dipole, Da:	3.29
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations