Geometry & MOs

Info

ID:	313227
PubChem CID:	126612676
Reduced:	ION2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	446.02264
ΔH_f, kcal/mol:	68.17
Dipole, Da:	0.25
IP(EA), eV:	-9.32(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C3=NOC(=N3)I

DOS

IR

Vibrations