Geometry & MOs

Info

ID:	402805
PubChem CID:	135057349
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	454.141638
ΔH_f, kcal/mol:	-192.76
Dipole, Da:	4.76
IP(EA), eV:	-9.61(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C(=O)C=CC1=O)C(=O)NCCO

DOS

IR

Vibrations