Geometry & MOs

Info

ID:	403156
PubChem CID:	135058998
Reduced:	BrON3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	438.146724
ΔH_f, kcal/mol:	84.12
Dipole, Da:	2.19
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-hydroxyphenyl)-5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNN=C2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations