Geometry & MOs

Info

ID:	413885
PubChem CID:	135086836
Reduced:	SeBr2O2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	3.02
IP(EA), eV:	-9.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-4-ethyl-2-[(E)-pent-2-en-4-ynyl]-2,3-dihydro-1-benzofuran-3-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C[Se]CC(=O)C2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations